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 -19:sc= -1.17 USER MOD Set 1.2: A 105 CYS SG : rot 96:sc= -0.115 USER MOD Set 1.3: A 123 CYS SG : rot -118:sc= 0.0631 USER MOD Set 1.4: A 126 CYS SG : rot 48:sc= 0.498 USER MOD Set 1.5: A 129 LYS NZ :NH3+ -153:sc= 0.0302 (180deg=0) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -0.345 X(o=-0.43,f=-0.66) USER MOD Set 2.2: A 60 LYS NZ :NH3+ 161:sc= -0.088 (180deg=-0.501) USER MOD Set 3.1: A 32 SER OG : rot -134:sc= -1.13 USER MOD Set 3.2: A 39 THR OG1 : rot 164:sc= 0.723 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.374 X(o=0.37,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.228 X(o=0.23,f=0) USER MOD Single : A 42 GLN : amide:sc= -7.21! K(o=-7.2!,f=-1.2) USER MOD Single : A 43 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.017) USER MOD Single : A 52 ASN : amide:sc= -1.4 X(o=-1.4,f=-1) USER MOD Single : A 56 GLN : amide:sc= -0.316 K(o=-0.32,f=-1.9!) USER MOD Single : A 68 THR OG1 : rot -35:sc= -4.35! USER MOD Single : A 71 ASN : amide:sc= -0.96 X(o=-0.96,f=-0.57) USER MOD Single : A 80 GLN : amide:sc= -0.659 K(o=-0.66,f=-1.5) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 57:sc= 1.06 USER MOD Single : A 85 HIS : no HD1:sc= -6.39! C(o=-6.4!,f=-8.1!) USER MOD Single : A 89 ASN : amide:sc= -1.75 K(o=-1.7,f=-1.1) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -4.31 K(o=-4.3,f=-1.9) USER MOD Single : A 98 LYS NZ :NH3+ -150:sc= -0.369 (180deg=-1.6!) USER MOD Single : A 103 HIS : no HD1:sc= -0.0275 X(o=-0.028,f=-0.12) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0.344 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 505 N TYR A 31 -8.158 -3.296 1.115 1.00 0.00 N ATOM 506 CA TYR A 31 -8.198 -2.120 1.974 1.00 0.00 C ATOM 507 C TYR A 31 -8.528 -2.513 3.410 1.00 0.00 C ATOM 508 O TYR A 31 -8.883 -3.661 3.683 1.00 0.00 O ATOM 509 CB TYR A 31 -9.231 -1.117 1.457 1.00 0.00 C ATOM 510 CG TYR A 31 -10.543 -1.754 1.055 1.00 0.00 C ATOM 511 CD1 TYR A 31 -10.635 -2.535 -0.090 1.00 0.00 C ATOM 512 CD2 TYR A 31 -11.687 -1.574 1.821 1.00 0.00 C ATOM 513 CE1 TYR A 31 -11.831 -3.120 -0.459 1.00 0.00 C ATOM 514 CE2 TYR A 31 -12.887 -2.156 1.459 1.00 0.00 C ATOM 515 CZ TYR A 31 -12.954 -2.928 0.318 1.00 0.00 C ATOM 516 OH TYR A 31 -14.146 -3.511 -0.047 1.00 0.00 O ATOM 0 HA TYR A 31 -7.213 -1.653 1.958 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.420 -0.372 2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.815 -0.589 0.599 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.758 -2.687 -0.701 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.638 -0.969 2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.886 -3.725 -1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -13.768 -2.007 2.066 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.838 -3.278 0.607 1.00 0.00 H new ATOM 526 N SER A 32 -8.409 -1.557 4.325 1.00 0.00 N ATOM 527 CA SER A 32 -8.695 -1.807 5.734 1.00 0.00 C ATOM 528 C SER A 32 -10.195 -1.867 5.985 1.00 0.00 C ATOM 529 O SER A 32 -10.998 -1.602 5.092 1.00 0.00 O ATOM 530 CB SER A 32 -8.068 -0.720 6.610 1.00 0.00 C ATOM 531 OG SER A 32 -6.759 -1.081 7.013 1.00 0.00 O ATOM 0 H SER A 32 -8.117 -0.602 4.117 1.00 0.00 H new ATOM 0 HA SER A 32 -8.260 -2.772 5.995 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.036 0.221 6.060 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.690 -0.554 7.490 1.00 0.00 H new ATOM 0 HG SER A 32 -6.653 -0.909 7.972 1.00 0.00 H new ATOM 537 N VAL A 33 -10.565 -2.216 7.211 1.00 0.00 N ATOM 538 CA VAL A 33 -11.969 -2.309 7.582 1.00 0.00 C ATOM 539 C VAL A 33 -12.226 -1.630 8.918 1.00 0.00 C ATOM 540 O VAL A 33 -11.488 -1.833 9.883 1.00 0.00 O ATOM 541 CB VAL A 33 -12.464 -3.772 7.667 1.00 0.00 C ATOM 542 CG1 VAL A 33 -13.835 -3.895 7.026 1.00 0.00 C ATOM 543 CG2 VAL A 33 -11.484 -4.738 7.012 1.00 0.00 C ATOM 0 H VAL A 33 -9.913 -2.439 7.963 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.523 -1.802 6.792 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.534 -4.040 8.721 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -14.175 -4.928 7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.540 -3.248 7.548 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.775 -3.597 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.867 -5.755 7.092 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.364 -4.477 5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.519 -4.673 7.514 1.00 0.00 H new ATOM 553 N ILE A 34 -13.283 -0.829 8.968 1.00 0.00 N ATOM 554 CA ILE A 34 -13.648 -0.126 10.182 1.00 0.00 C ATOM 555 C ILE A 34 -14.562 -0.983 11.048 1.00 0.00 C ATOM 556 O ILE A 34 -15.697 -1.271 10.676 1.00 0.00 O ATOM 557 CB ILE A 34 -14.348 1.210 9.866 1.00 0.00 C ATOM 558 CG1 ILE A 34 -14.568 1.999 11.161 1.00 0.00 C ATOM 559 CG2 ILE A 34 -15.662 0.976 9.120 1.00 0.00 C ATOM 560 CD1 ILE A 34 -15.829 1.625 11.914 1.00 0.00 C ATOM 0 H ILE A 34 -13.902 -0.653 8.177 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.727 0.081 10.726 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.708 1.799 9.210 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.710 1.847 11.815 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -14.603 3.062 10.923 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.136 1.934 8.909 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -15.461 0.456 8.183 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.327 0.370 9.735 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -15.907 2.231 12.817 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -16.698 1.805 11.281 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.791 0.570 12.187 1.00 0.00 H new ATOM 572 N GLN A 35 -14.059 -1.392 12.206 1.00 0.00 N ATOM 573 CA GLN A 35 -14.836 -2.216 13.121 1.00 0.00 C ATOM 574 C GLN A 35 -14.944 -1.548 14.488 1.00 0.00 C ATOM 575 O GLN A 35 -14.093 -1.748 15.355 1.00 0.00 O ATOM 576 CB GLN A 35 -14.196 -3.601 13.256 1.00 0.00 C ATOM 577 CG GLN A 35 -15.193 -4.745 13.162 1.00 0.00 C ATOM 578 CD GLN A 35 -15.279 -5.324 11.763 1.00 0.00 C ATOM 579 OE1 GLN A 35 -16.286 -5.161 11.073 1.00 0.00 O ATOM 580 NE2 GLN A 35 -14.219 -6.003 11.333 1.00 0.00 N ATOM 0 H GLN A 35 -13.119 -1.167 12.532 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.841 -2.330 12.715 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.443 -3.721 12.477 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.677 -3.660 14.213 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.907 -5.531 13.861 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.178 -4.391 13.467 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.405 -6.114 11.938 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.220 -6.412 10.399 1.00 0.00 H new ATOM 589 N GLY A 36 -15.987 -0.745 14.674 1.00 0.00 N ATOM 590 CA GLY A 36 -16.169 -0.059 15.939 1.00 0.00 C ATOM 591 C GLY A 36 -15.178 1.072 16.121 1.00 0.00 C ATOM 592 O GLY A 36 -15.543 2.246 16.056 1.00 0.00 O ATOM 0 H GLY A 36 -16.706 -0.558 13.975 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.183 0.336 15.994 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.059 -0.772 16.757 1.00 0.00 H new ATOM 596 N ASN A 37 -13.917 0.715 16.346 1.00 0.00 N ATOM 597 CA ASN A 37 -12.865 1.709 16.535 1.00 0.00 C ATOM 598 C ASN A 37 -11.482 1.117 16.249 1.00 0.00 C ATOM 599 O ASN A 37 -10.471 1.628 16.731 1.00 0.00 O ATOM 600 CB ASN A 37 -12.913 2.263 17.961 1.00 0.00 C ATOM 601 CG ASN A 37 -12.730 3.767 18.003 1.00 0.00 C ATOM 602 OD1 ASN A 37 -13.684 4.514 18.222 1.00 0.00 O ATOM 603 ND2 ASN A 37 -11.501 4.218 17.789 1.00 0.00 N ATOM 0 H ASN A 37 -13.599 -0.253 16.402 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.039 2.520 15.828 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -13.868 2.003 18.417 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.135 1.788 18.559 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.316 5.221 17.802 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.741 3.562 17.612 1.00 0.00 H new ATOM 610 N ARG A 38 -11.444 0.042 15.464 1.00 0.00 N ATOM 611 CA ARG A 38 -10.184 -0.615 15.120 1.00 0.00 C ATOM 612 C ARG A 38 -10.148 -0.984 13.639 1.00 0.00 C ATOM 613 O ARG A 38 -11.188 -1.221 13.027 1.00 0.00 O ATOM 614 CB ARG A 38 -9.995 -1.880 15.968 1.00 0.00 C ATOM 615 CG ARG A 38 -11.300 -2.526 16.413 1.00 0.00 C ATOM 616 CD ARG A 38 -11.111 -4.006 16.708 1.00 0.00 C ATOM 617 NE ARG A 38 -12.221 -4.818 16.213 1.00 0.00 N ATOM 618 CZ ARG A 38 -13.373 -4.973 16.861 1.00 0.00 C ATOM 619 NH1 ARG A 38 -13.584 -4.339 18.008 1.00 0.00 N ATOM 620 NH2 ARG A 38 -14.317 -5.756 16.356 1.00 0.00 N ATOM 0 H ARG A 38 -12.271 -0.393 15.054 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.373 0.084 15.327 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.418 -2.606 15.395 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.406 -1.629 16.850 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.674 -2.020 17.303 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.054 -2.401 15.636 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.182 -4.349 16.253 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.011 -4.150 17.784 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.106 -5.294 15.318 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.862 -3.731 18.395 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.468 -4.460 18.502 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.160 -6.239 15.471 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.200 -5.875 16.852 1.00 0.00 H new ATOM 634 N THR A 39 -8.945 -1.038 13.069 1.00 0.00 N ATOM 635 CA THR A 39 -8.790 -1.389 11.660 1.00 0.00 C ATOM 636 C THR A 39 -8.471 -2.877 11.505 1.00 0.00 C ATOM 637 O THR A 39 -7.542 -3.393 12.123 1.00 0.00 O ATOM 638 CB THR A 39 -7.709 -0.512 10.997 1.00 0.00 C ATOM 639 OG1 THR A 39 -8.184 -0.001 9.759 1.00 0.00 O ATOM 640 CG2 THR A 39 -6.388 -1.217 10.726 1.00 0.00 C ATOM 0 H THR A 39 -8.071 -0.845 13.557 1.00 0.00 H new ATOM 0 HA THR A 39 -9.734 -1.197 11.151 1.00 0.00 H new ATOM 0 HB THR A 39 -7.513 0.277 11.723 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.619 0.748 9.476 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.693 -0.520 10.259 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.967 -1.575 11.666 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.557 -2.062 10.059 1.00 0.00 H new ATOM 648 N PHE A 40 -9.266 -3.557 10.685 1.00 0.00 N ATOM 649 CA PHE A 40 -9.092 -4.987 10.445 1.00 0.00 C ATOM 650 C PHE A 40 -8.290 -5.230 9.168 1.00 0.00 C ATOM 651 O PHE A 40 -8.826 -5.715 8.170 1.00 0.00 O ATOM 652 CB PHE A 40 -10.461 -5.665 10.343 1.00 0.00 C ATOM 653 CG PHE A 40 -10.656 -6.799 11.302 1.00 0.00 C ATOM 654 CD1 PHE A 40 -11.108 -6.564 12.589 1.00 0.00 C ATOM 655 CD2 PHE A 40 -10.403 -8.104 10.910 1.00 0.00 C ATOM 656 CE1 PHE A 40 -11.303 -7.609 13.468 1.00 0.00 C ATOM 657 CE2 PHE A 40 -10.599 -9.153 11.783 1.00 0.00 C ATOM 658 CZ PHE A 40 -11.050 -8.906 13.064 1.00 0.00 C ATOM 0 H PHE A 40 -10.042 -3.138 10.172 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.539 -5.414 11.281 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -11.237 -4.920 10.516 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.596 -6.036 9.327 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.310 -5.552 12.908 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -10.048 -8.302 9.909 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.653 -7.414 14.471 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.400 -10.166 11.465 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.205 -9.726 13.750 1.00 0.00 H new ATOM 668 N ILE A 41 -7.005 -4.891 9.202 1.00 0.00 N ATOM 669 CA ILE A 41 -6.141 -5.075 8.041 1.00 0.00 C ATOM 670 C ILE A 41 -6.067 -6.546 7.647 1.00 0.00 C ATOM 671 O ILE A 41 -5.648 -7.396 8.436 1.00 0.00 O ATOM 672 CB ILE A 41 -4.717 -4.508 8.287 1.00 0.00 C ATOM 673 CG1 ILE A 41 -4.527 -3.219 7.495 1.00 0.00 C ATOM 674 CG2 ILE A 41 -3.636 -5.502 7.893 1.00 0.00 C ATOM 675 CD1 ILE A 41 -3.920 -2.095 8.304 1.00 0.00 C ATOM 0 H ILE A 41 -6.541 -4.489 10.017 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.583 -4.515 7.217 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.624 -4.310 9.355 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.889 -3.422 6.635 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.493 -2.895 7.107 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.655 -5.066 8.081 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.747 -6.413 8.481 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.730 -5.741 6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.814 -1.210 7.676 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.568 -1.864 9.150 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.939 -2.399 8.670 1.00 0.00 H new ATOM 687 N GLN A 42 -6.487 -6.832 6.420 1.00 0.00 N ATOM 688 CA GLN A 42 -6.483 -8.192 5.896 1.00 0.00 C ATOM 689 C GLN A 42 -5.355 -8.376 4.898 1.00 0.00 C ATOM 690 O GLN A 42 -4.719 -9.428 4.841 1.00 0.00 O ATOM 691 CB GLN A 42 -7.826 -8.491 5.225 1.00 0.00 C ATOM 692 CG GLN A 42 -8.714 -9.436 6.018 1.00 0.00 C ATOM 693 CD GLN A 42 -9.346 -8.779 7.233 1.00 0.00 C ATOM 694 OE1 GLN A 42 -10.565 -8.806 7.402 1.00 0.00 O ATOM 695 NE2 GLN A 42 -8.520 -8.198 8.097 1.00 0.00 N ATOM 0 H GLN A 42 -6.837 -6.133 5.765 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.329 -8.885 6.723 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.359 -7.553 5.068 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.641 -8.922 4.241 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.501 -9.817 5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.124 -10.294 6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.515 -8.197 7.921 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.891 -7.753 8.937 1.00 0.00 H new ATOM 704 N ASN A 43 -5.119 -7.343 4.107 1.00 0.00 N ATOM 705 CA ASN A 43 -4.078 -7.375 3.101 1.00 0.00 C ATOM 706 C ASN A 43 -2.929 -6.454 3.487 1.00 0.00 C ATOM 707 O ASN A 43 -2.497 -5.619 2.693 1.00 0.00 O ATOM 708 CB ASN A 43 -4.661 -6.968 1.749 1.00 0.00 C ATOM 709 CG ASN A 43 -5.322 -8.133 1.039 1.00 0.00 C ATOM 710 OD1 ASN A 43 -5.005 -8.435 -0.111 1.00 0.00 O ATOM 711 ND2 ASN A 43 -6.248 -8.794 1.727 1.00 0.00 N ATOM 0 H ASN A 43 -5.640 -6.467 4.145 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.685 -8.389 3.029 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.391 -6.171 1.894 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.868 -6.563 1.120 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.728 -9.588 1.303 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.478 -8.507 2.678 1.00 0.00 H new ATOM 718 N PHE A 44 -2.431 -6.612 4.715 1.00 0.00 N ATOM 719 CA PHE A 44 -1.330 -5.791 5.210 1.00 0.00 C ATOM 720 C PHE A 44 -0.219 -5.676 4.172 1.00 0.00 C ATOM 721 O PHE A 44 0.542 -4.720 4.185 1.00 0.00 O ATOM 722 CB PHE A 44 -0.751 -6.385 6.499 1.00 0.00 C ATOM 723 CG PHE A 44 0.384 -5.582 7.069 1.00 0.00 C ATOM 724 CD1 PHE A 44 0.274 -4.208 7.204 1.00 0.00 C ATOM 725 CD2 PHE A 44 1.563 -6.198 7.461 1.00 0.00 C ATOM 726 CE1 PHE A 44 1.315 -3.462 7.720 1.00 0.00 C ATOM 727 CE2 PHE A 44 2.609 -5.456 7.977 1.00 0.00 C ATOM 728 CZ PHE A 44 2.484 -4.087 8.107 1.00 0.00 C ATOM 0 H PHE A 44 -2.774 -7.302 5.383 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.730 -4.798 5.413 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.543 -6.460 7.244 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.405 -7.399 6.299 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.638 -3.714 6.902 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.665 -7.269 7.362 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.215 -2.391 7.821 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.523 -5.946 8.278 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.300 -3.506 8.511 1.00 0.00 H new ATOM 738 N ARG A 45 -0.132 -6.648 3.278 1.00 0.00 N ATOM 739 CA ARG A 45 0.889 -6.633 2.241 1.00 0.00 C ATOM 740 C ARG A 45 0.464 -5.755 1.064 1.00 0.00 C ATOM 741 O ARG A 45 1.179 -4.831 0.673 1.00 0.00 O ATOM 742 CB ARG A 45 1.161 -8.054 1.757 1.00 0.00 C ATOM 743 CG ARG A 45 2.639 -8.366 1.620 1.00 0.00 C ATOM 744 CD ARG A 45 3.049 -9.507 2.533 1.00 0.00 C ATOM 745 NE ARG A 45 3.498 -9.026 3.838 1.00 0.00 N ATOM 746 CZ ARG A 45 4.585 -8.282 4.018 1.00 0.00 C ATOM 747 NH1 ARG A 45 5.340 -7.936 2.981 1.00 0.00 N ATOM 748 NH2 ARG A 45 4.921 -7.881 5.236 1.00 0.00 N ATOM 0 H ARG A 45 -0.754 -7.456 3.249 1.00 0.00 H new ATOM 0 HA ARG A 45 1.801 -6.215 2.667 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.710 -8.761 2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.674 -8.202 0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.863 -8.627 0.586 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.224 -7.478 1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.207 -10.186 2.666 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.848 -10.079 2.062 1.00 0.00 H new ATOM 0 HE ARG A 45 2.945 -9.276 4.658 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.087 -8.241 2.041 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.173 -7.365 3.125 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.345 -8.143 6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.755 -7.310 5.373 1.00 0.00 H new ATOM 762 N GLU A 46 -0.715 -6.042 0.518 1.00 0.00 N ATOM 763 CA GLU A 46 -1.243 -5.273 -0.604 1.00 0.00 C ATOM 764 C GLU A 46 -1.573 -3.854 -0.166 1.00 0.00 C ATOM 765 O GLU A 46 -1.288 -2.886 -0.873 1.00 0.00 O ATOM 766 CB GLU A 46 -2.486 -5.945 -1.187 1.00 0.00 C ATOM 767 CG GLU A 46 -2.701 -5.646 -2.664 1.00 0.00 C ATOM 768 CD GLU A 46 -3.030 -6.888 -3.472 1.00 0.00 C ATOM 769 OE1 GLU A 46 -2.282 -7.882 -3.362 1.00 0.00 O ATOM 770 OE2 GLU A 46 -4.033 -6.865 -4.217 1.00 0.00 O ATOM 0 H GLU A 46 -1.321 -6.799 0.834 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.477 -5.234 -1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.404 -7.023 -1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.362 -5.619 -0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.510 -4.924 -2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.803 -5.180 -3.071 1.00 0.00 H new ATOM 777 N VAL A 47 -2.166 -3.739 1.015 1.00 0.00 N ATOM 778 CA VAL A 47 -2.526 -2.443 1.562 1.00 0.00 C ATOM 779 C VAL A 47 -1.280 -1.650 1.927 1.00 0.00 C ATOM 780 O VAL A 47 -1.224 -0.440 1.722 1.00 0.00 O ATOM 781 CB VAL A 47 -3.409 -2.585 2.818 1.00 0.00 C ATOM 782 CG1 VAL A 47 -3.971 -1.235 3.245 1.00 0.00 C ATOM 783 CG2 VAL A 47 -4.529 -3.585 2.577 1.00 0.00 C ATOM 0 H VAL A 47 -2.407 -4.531 1.611 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.088 -1.916 0.791 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.785 -2.960 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.590 -1.363 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.150 -0.554 3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.575 -0.821 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.140 -3.670 3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.149 -3.244 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.102 -4.558 2.335 1.00 0.00 H new ATOM 793 N ALA A 48 -0.286 -2.334 2.491 1.00 0.00 N ATOM 794 CA ALA A 48 0.946 -1.676 2.902 1.00 0.00 C ATOM 795 C ALA A 48 1.703 -1.066 1.723 1.00 0.00 C ATOM 796 O ALA A 48 2.363 -0.037 1.862 1.00 0.00 O ATOM 797 CB ALA A 48 1.846 -2.634 3.665 1.00 0.00 C ATOM 0 H ALA A 48 -0.312 -3.338 2.672 1.00 0.00 H new ATOM 0 HA ALA A 48 0.657 -0.858 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.759 -2.118 3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.327 -2.991 4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.098 -3.482 3.028 1.00 0.00 H new ATOM 803 N ASP A 49 1.598 -1.685 0.557 1.00 0.00 N ATOM 804 CA ASP A 49 2.276 -1.161 -0.622 1.00 0.00 C ATOM 805 C ASP A 49 1.532 0.063 -1.143 1.00 0.00 C ATOM 806 O ASP A 49 2.055 1.178 -1.126 1.00 0.00 O ATOM 807 CB ASP A 49 2.373 -2.237 -1.707 1.00 0.00 C ATOM 808 CG ASP A 49 3.467 -1.951 -2.719 1.00 0.00 C ATOM 809 OD1 ASP A 49 3.644 -0.771 -3.086 1.00 0.00 O ATOM 810 OD2 ASP A 49 4.145 -2.910 -3.147 1.00 0.00 O ATOM 0 H ASP A 49 1.059 -2.537 0.401 1.00 0.00 H new ATOM 0 HA ASP A 49 3.289 -0.866 -0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.560 -3.203 -1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.416 -2.313 -2.224 1.00 0.00 H new ATOM 815 N ALA A 50 0.312 -0.157 -1.616 1.00 0.00 N ATOM 816 CA ALA A 50 -0.514 0.916 -2.156 1.00 0.00 C ATOM 817 C ALA A 50 -0.558 2.140 -1.236 1.00 0.00 C ATOM 818 O ALA A 50 -0.388 3.270 -1.693 1.00 0.00 O ATOM 819 CB ALA A 50 -1.921 0.402 -2.413 1.00 0.00 C ATOM 0 H ALA A 50 -0.130 -1.076 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.061 1.238 -3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.535 1.207 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.883 -0.419 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.356 0.048 -1.478 1.00 0.00 H new ATOM 825 N LEU A 51 -0.807 1.916 0.053 1.00 0.00 N ATOM 826 CA LEU A 51 -0.896 3.005 1.009 1.00 0.00 C ATOM 827 C LEU A 51 0.453 3.690 1.185 1.00 0.00 C ATOM 828 O LEU A 51 0.519 4.904 1.372 1.00 0.00 O ATOM 829 CB LEU A 51 -1.407 2.480 2.355 1.00 0.00 C ATOM 830 CG LEU A 51 -1.038 3.336 3.562 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.550 4.750 3.373 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.586 2.727 4.844 1.00 0.00 C ATOM 0 H LEU A 51 -0.950 0.989 0.454 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.600 3.743 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.493 2.395 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.015 1.474 2.508 1.00 0.00 H new ATOM 0 HG LEU A 51 0.048 3.369 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.281 5.353 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.103 5.182 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.634 4.733 3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.311 3.354 5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.672 2.660 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.169 1.729 4.980 1.00 0.00 H new ATOM 844 N ASN A 52 1.528 2.911 1.132 1.00 0.00 N ATOM 845 CA ASN A 52 2.865 3.465 1.296 1.00 0.00 C ATOM 846 C ASN A 52 3.929 2.462 0.878 1.00 0.00 C ATOM 847 O ASN A 52 4.277 1.557 1.636 1.00 0.00 O ATOM 848 CB ASN A 52 3.084 3.891 2.750 1.00 0.00 C ATOM 849 CG ASN A 52 3.700 5.273 2.861 1.00 0.00 C ATOM 850 OD1 ASN A 52 3.168 6.148 3.544 1.00 0.00 O ATOM 851 ND2 ASN A 52 4.826 5.477 2.187 1.00 0.00 N ATOM 0 H ASN A 52 1.500 1.903 0.978 1.00 0.00 H new ATOM 0 HA ASN A 52 2.951 4.339 0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.130 3.878 3.277 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.731 3.167 3.244 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.284 6.388 2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.233 4.723 1.633 1.00 0.00 H new ATOM 858 N ARG A 53 4.445 2.638 -0.337 1.00 0.00 N ATOM 859 CA ARG A 53 5.482 1.764 -0.883 1.00 0.00 C ATOM 860 C ARG A 53 6.477 1.337 0.196 1.00 0.00 C ATOM 861 O ARG A 53 7.004 0.227 0.160 1.00 0.00 O ATOM 862 CB ARG A 53 6.221 2.470 -2.021 1.00 0.00 C ATOM 863 CG ARG A 53 6.529 3.929 -1.729 1.00 0.00 C ATOM 864 CD ARG A 53 7.231 4.600 -2.897 1.00 0.00 C ATOM 865 NE ARG A 53 8.669 4.724 -2.671 1.00 0.00 N ATOM 866 CZ ARG A 53 9.211 5.562 -1.789 1.00 0.00 C ATOM 867 NH1 ARG A 53 8.440 6.343 -1.043 1.00 0.00 N ATOM 868 NH2 ARG A 53 10.530 5.617 -1.652 1.00 0.00 N ATOM 0 H ARG A 53 4.158 3.386 -0.968 1.00 0.00 H new ATOM 0 HA ARG A 53 4.994 0.868 -1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.154 1.943 -2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.620 2.408 -2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.603 4.459 -1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.156 3.998 -0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.055 4.024 -3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.802 5.589 -3.058 1.00 0.00 H new ATOM 0 HE ARG A 53 9.294 4.135 -3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.426 6.304 -1.143 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.862 6.982 -0.369 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.127 5.018 -2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.946 6.258 -0.977 1.00 0.00 H new ATOM 882 N ASP A 54 6.719 2.224 1.161 1.00 0.00 N ATOM 883 CA ASP A 54 7.639 1.931 2.254 1.00 0.00 C ATOM 884 C ASP A 54 6.889 1.295 3.425 1.00 0.00 C ATOM 885 O ASP A 54 5.803 1.744 3.791 1.00 0.00 O ATOM 886 CB ASP A 54 8.339 3.213 2.718 1.00 0.00 C ATOM 887 CG ASP A 54 9.842 3.165 2.518 1.00 0.00 C ATOM 888 OD1 ASP A 54 10.382 2.055 2.331 1.00 0.00 O ATOM 889 OD2 ASP A 54 10.478 4.238 2.550 1.00 0.00 O ATOM 0 H ASP A 54 6.291 3.149 1.206 1.00 0.00 H new ATOM 0 HA ASP A 54 8.390 1.228 1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.931 4.063 2.171 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.122 3.379 3.773 1.00 0.00 H new ATOM 894 N PRO A 55 7.455 0.238 4.033 1.00 0.00 N ATOM 895 CA PRO A 55 6.823 -0.447 5.162 1.00 0.00 C ATOM 896 C PRO A 55 6.882 0.375 6.445 1.00 0.00 C ATOM 897 O PRO A 55 5.937 0.382 7.235 1.00 0.00 O ATOM 898 CB PRO A 55 7.649 -1.726 5.307 1.00 0.00 C ATOM 899 CG PRO A 55 8.992 -1.371 4.767 1.00 0.00 C ATOM 900 CD PRO A 55 8.749 -0.372 3.668 1.00 0.00 C ATOM 0 HA PRO A 55 5.762 -0.626 4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.711 -2.041 6.349 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.204 -2.551 4.750 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.626 -0.947 5.546 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.504 -2.254 4.385 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.544 0.372 3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.704 -0.854 2.691 1.00 0.00 H new ATOM 908 N GLN A 56 8.001 1.063 6.648 1.00 0.00 N ATOM 909 CA GLN A 56 8.190 1.885 7.838 1.00 0.00 C ATOM 910 C GLN A 56 7.313 3.134 7.792 1.00 0.00 C ATOM 911 O GLN A 56 6.731 3.531 8.802 1.00 0.00 O ATOM 912 CB GLN A 56 9.660 2.282 7.976 1.00 0.00 C ATOM 913 CG GLN A 56 10.185 2.191 9.400 1.00 0.00 C ATOM 914 CD GLN A 56 10.708 3.518 9.916 1.00 0.00 C ATOM 915 OE1 GLN A 56 10.346 4.579 9.409 1.00 0.00 O ATOM 916 NE2 GLN A 56 11.567 3.463 10.928 1.00 0.00 N ATOM 0 H GLN A 56 8.791 1.068 6.003 1.00 0.00 H new ATOM 0 HA GLN A 56 7.894 1.295 8.705 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.263 1.640 7.334 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.787 3.303 7.615 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.388 1.840 10.055 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.983 1.449 9.442 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.839 2.560 11.317 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.954 4.323 11.316 1.00 0.00 H new ATOM 925 N HIS A 57 7.222 3.750 6.619 1.00 0.00 N ATOM 926 CA HIS A 57 6.413 4.954 6.452 1.00 0.00 C ATOM 927 C HIS A 57 4.945 4.667 6.739 1.00 0.00 C ATOM 928 O HIS A 57 4.181 5.567 7.088 1.00 0.00 O ATOM 929 CB HIS A 57 6.570 5.507 5.032 1.00 0.00 C ATOM 930 CG HIS A 57 7.109 6.902 4.975 1.00 0.00 C ATOM 931 ND1 HIS A 57 7.914 7.443 5.955 1.00 0.00 N ATOM 932 CD2 HIS A 57 6.961 7.869 4.038 1.00 0.00 C ATOM 933 CE1 HIS A 57 8.238 8.681 5.625 1.00 0.00 C ATOM 934 NE2 HIS A 57 7.672 8.963 4.467 1.00 0.00 N ATOM 0 H HIS A 57 7.696 3.438 5.772 1.00 0.00 H new ATOM 0 HA HIS A 57 6.764 5.699 7.165 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.233 4.850 4.469 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.600 5.483 4.535 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.390 7.794 3.124 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.860 9.348 6.204 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.750 9.851 3.970 1.00 0.00 H new ATOM 942 N LEU A 58 4.557 3.410 6.585 1.00 0.00 N ATOM 943 CA LEU A 58 3.182 3.002 6.824 1.00 0.00 C ATOM 944 C LEU A 58 2.896 2.900 8.314 1.00 0.00 C ATOM 945 O LEU A 58 1.822 3.273 8.783 1.00 0.00 O ATOM 946 CB LEU A 58 2.916 1.658 6.157 1.00 0.00 C ATOM 947 CG LEU A 58 1.546 1.539 5.494 1.00 0.00 C ATOM 948 CD1 LEU A 58 1.704 1.353 3.995 1.00 0.00 C ATOM 949 CD2 LEU A 58 0.741 0.394 6.106 1.00 0.00 C ATOM 0 H LEU A 58 5.177 2.654 6.295 1.00 0.00 H new ATOM 0 HA LEU A 58 2.523 3.758 6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.686 1.481 5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.013 0.870 6.904 1.00 0.00 H new ATOM 0 HG LEU A 58 0.994 2.462 5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.720 1.269 3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.230 2.210 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.275 0.446 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.231 0.330 5.617 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.279 -0.544 5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.599 0.577 7.171 1.00 0.00 H new ATOM 961 N LEU A 59 3.870 2.380 9.047 1.00 0.00 N ATOM 962 CA LEU A 59 3.740 2.206 10.488 1.00 0.00 C ATOM 963 C LEU A 59 3.753 3.555 11.200 1.00 0.00 C ATOM 964 O LEU A 59 3.130 3.722 12.249 1.00 0.00 O ATOM 965 CB LEU A 59 4.874 1.319 11.005 1.00 0.00 C ATOM 966 CG LEU A 59 4.577 0.561 12.304 1.00 0.00 C ATOM 967 CD1 LEU A 59 4.796 -0.937 12.122 1.00 0.00 C ATOM 968 CD2 LEU A 59 5.444 1.092 13.437 1.00 0.00 C ATOM 0 H LEU A 59 4.764 2.070 8.666 1.00 0.00 H new ATOM 0 HA LEU A 59 2.785 1.724 10.697 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.127 0.594 10.231 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.756 1.940 11.160 1.00 0.00 H new ATOM 0 HG LEU A 59 3.530 0.722 12.561 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.579 -1.453 13.057 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.134 -1.309 11.340 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.832 -1.121 11.838 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.222 0.544 14.353 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.496 0.961 13.182 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.236 2.151 13.588 1.00 0.00 H new ATOM 980 N LYS A 60 4.464 4.513 10.618 1.00 0.00 N ATOM 981 CA LYS A 60 4.558 5.850 11.187 1.00 0.00 C ATOM 982 C LYS A 60 3.249 6.618 11.000 1.00 0.00 C ATOM 983 O LYS A 60 2.689 7.147 11.957 1.00 0.00 O ATOM 984 CB LYS A 60 5.711 6.609 10.538 1.00 0.00 C ATOM 985 CG LYS A 60 6.930 6.750 11.434 1.00 0.00 C ATOM 986 CD LYS A 60 7.445 8.177 11.433 1.00 0.00 C ATOM 987 CE LYS A 60 8.309 8.455 10.211 1.00 0.00 C ATOM 988 NZ LYS A 60 7.493 8.703 8.986 1.00 0.00 N ATOM 0 H LYS A 60 4.985 4.387 9.750 1.00 0.00 H new ATOM 0 HA LYS A 60 4.746 5.757 12.257 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.002 6.096 9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.365 7.602 10.251 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.674 6.453 12.451 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.716 6.076 11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.603 8.869 11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.024 8.357 12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.942 9.321 10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.973 7.608 10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.074 9.193 8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.164 7.796 8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.672 9.294 9.229 1.00 0.00 H new ATOM 1002 N PHE A 61 2.757 6.671 9.767 1.00 0.00 N ATOM 1003 CA PHE A 61 1.507 7.366 9.486 1.00 0.00 C ATOM 1004 C PHE A 61 0.370 6.725 10.276 1.00 0.00 C ATOM 1005 O PHE A 61 -0.523 7.406 10.784 1.00 0.00 O ATOM 1006 CB PHE A 61 1.200 7.333 7.990 1.00 0.00 C ATOM 1007 CG PHE A 61 0.602 8.613 7.488 1.00 0.00 C ATOM 1008 CD1 PHE A 61 1.318 9.796 7.555 1.00 0.00 C ATOM 1009 CD2 PHE A 61 -0.676 8.634 6.957 1.00 0.00 C ATOM 1010 CE1 PHE A 61 0.769 10.979 7.100 1.00 0.00 C ATOM 1011 CE2 PHE A 61 -1.230 9.812 6.500 1.00 0.00 C ATOM 1012 CZ PHE A 61 -0.507 10.987 6.571 1.00 0.00 C ATOM 0 H PHE A 61 3.200 6.245 8.953 1.00 0.00 H new ATOM 0 HA PHE A 61 1.607 8.408 9.791 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.118 7.127 7.440 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.514 6.512 7.783 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.316 9.794 7.967 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.246 7.718 6.900 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.336 11.896 7.158 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.228 9.816 6.087 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.939 11.910 6.214 1.00 0.00 H new ATOM 1022 N LEU A 62 0.430 5.404 10.378 1.00 0.00 N ATOM 1023 CA LEU A 62 -0.562 4.631 11.106 1.00 0.00 C ATOM 1024 C LEU A 62 -0.655 5.090 12.564 1.00 0.00 C ATOM 1025 O LEU A 62 -1.741 5.394 13.056 1.00 0.00 O ATOM 1026 CB LEU A 62 -0.180 3.147 11.039 1.00 0.00 C ATOM 1027 CG LEU A 62 -0.950 2.217 11.971 1.00 0.00 C ATOM 1028 CD1 LEU A 62 -2.379 2.057 11.487 1.00 0.00 C ATOM 1029 CD2 LEU A 62 -0.258 0.864 12.065 1.00 0.00 C ATOM 0 H LEU A 62 1.169 4.840 9.958 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.540 4.783 10.649 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.321 2.802 10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.883 3.055 11.263 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.970 2.658 12.968 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.919 1.391 12.160 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.869 3.031 11.470 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.378 1.634 10.482 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.821 0.213 12.734 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.208 0.411 11.075 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.752 0.998 12.454 1.00 0.00 H new ATOM 1041 N LEU A 63 0.487 5.135 13.250 1.00 0.00 N ATOM 1042 CA LEU A 63 0.516 5.556 14.650 1.00 0.00 C ATOM 1043 C LEU A 63 0.208 7.042 14.790 1.00 0.00 C ATOM 1044 O LEU A 63 -0.334 7.480 15.806 1.00 0.00 O ATOM 1045 CB LEU A 63 1.877 5.248 15.282 1.00 0.00 C ATOM 1046 CG LEU A 63 3.053 6.056 14.732 1.00 0.00 C ATOM 1047 CD1 LEU A 63 3.210 7.370 15.484 1.00 0.00 C ATOM 1048 CD2 LEU A 63 4.336 5.246 14.807 1.00 0.00 C ATOM 0 H LEU A 63 1.397 4.887 12.863 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.256 4.993 15.175 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.808 5.423 16.356 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.091 4.188 15.145 1.00 0.00 H new ATOM 0 HG LEU A 63 2.846 6.286 13.687 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.053 7.926 15.074 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.300 7.961 15.378 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.389 7.166 16.540 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.163 5.836 14.411 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.541 4.984 15.845 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.226 4.335 14.218 1.00 0.00 H new ATOM 1060 N ARG A 64 0.561 7.817 13.771 1.00 0.00 N ATOM 1061 CA ARG A 64 0.332 9.258 13.792 1.00 0.00 C ATOM 1062 C ARG A 64 -1.145 9.582 14.016 1.00 0.00 C ATOM 1063 O ARG A 64 -1.479 10.447 14.825 1.00 0.00 O ATOM 1064 CB ARG A 64 0.820 9.894 12.488 1.00 0.00 C ATOM 1065 CG ARG A 64 2.326 10.115 12.449 1.00 0.00 C ATOM 1066 CD ARG A 64 2.676 11.539 12.048 1.00 0.00 C ATOM 1067 NE ARG A 64 2.317 12.504 13.086 1.00 0.00 N ATOM 1068 CZ ARG A 64 2.059 13.790 12.849 1.00 0.00 C ATOM 1069 NH1 ARG A 64 2.136 14.277 11.617 1.00 0.00 N ATOM 1070 NH2 ARG A 64 1.727 14.592 13.851 1.00 0.00 N ATOM 0 H ARG A 64 1.006 7.473 12.920 1.00 0.00 H new ATOM 0 HA ARG A 64 0.899 9.674 14.624 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.532 9.257 11.652 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.316 10.850 12.348 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.751 9.898 13.429 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.778 9.417 11.744 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.745 11.606 11.845 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.159 11.793 11.123 1.00 0.00 H new ATOM 0 HE ARG A 64 2.261 12.173 14.049 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.394 13.666 10.842 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.937 15.262 11.445 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.669 14.225 14.801 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.529 15.577 13.672 1.00 0.00 H new ATOM 1084 N GLU A 65 -2.024 8.886 13.303 1.00 0.00 N ATOM 1085 CA GLU A 65 -3.462 9.113 13.441 1.00 0.00 C ATOM 1086 C GLU A 65 -4.061 8.221 14.528 1.00 0.00 C ATOM 1087 O GLU A 65 -5.061 8.574 15.152 1.00 0.00 O ATOM 1088 CB GLU A 65 -4.171 8.855 12.109 1.00 0.00 C ATOM 1089 CG GLU A 65 -4.916 10.066 11.571 1.00 0.00 C ATOM 1090 CD GLU A 65 -3.991 11.224 11.251 1.00 0.00 C ATOM 1091 OE1 GLU A 65 -2.977 11.000 10.556 1.00 0.00 O ATOM 1092 OE2 GLU A 65 -4.279 12.354 11.697 1.00 0.00 O ATOM 0 H GLU A 65 -1.771 8.165 12.628 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.609 10.153 13.731 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.435 8.535 11.372 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.875 8.032 12.235 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.462 9.782 10.671 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.656 10.388 12.304 1.00 0.00 H new ATOM 1099 N LEU A 66 -3.445 7.065 14.745 1.00 0.00 N ATOM 1100 CA LEU A 66 -3.921 6.116 15.748 1.00 0.00 C ATOM 1101 C LEU A 66 -4.078 6.778 17.115 1.00 0.00 C ATOM 1102 O LEU A 66 -3.092 7.099 17.777 1.00 0.00 O ATOM 1103 CB LEU A 66 -2.958 4.930 15.842 1.00 0.00 C ATOM 1104 CG LEU A 66 -3.532 3.596 15.365 1.00 0.00 C ATOM 1105 CD1 LEU A 66 -4.183 3.747 13.999 1.00 0.00 C ATOM 1106 CD2 LEU A 66 -2.452 2.529 15.330 1.00 0.00 C ATOM 0 H LEU A 66 -2.613 6.760 14.239 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.903 5.760 15.437 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.068 5.156 15.256 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.638 4.822 16.878 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.298 3.283 16.074 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.585 2.786 13.679 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.991 4.476 14.060 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.440 4.088 13.278 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.882 1.587 14.988 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.660 2.836 14.647 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.038 2.397 16.330 1.00 0.00 H new ATOM 1118 N GLY A 67 -5.328 6.976 17.528 1.00 0.00 N ATOM 1119 CA GLY A 67 -5.597 7.599 18.814 1.00 0.00 C ATOM 1120 C GLY A 67 -5.568 6.613 19.972 1.00 0.00 C ATOM 1121 O GLY A 67 -5.837 6.984 21.114 1.00 0.00 O ATOM 0 H GLY A 67 -6.159 6.717 16.996 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.860 8.382 18.993 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.574 8.082 18.780 1.00 0.00 H new ATOM 1125 N THR A 68 -5.234 5.359 19.678 1.00 0.00 N ATOM 1126 CA THR A 68 -5.159 4.320 20.699 1.00 0.00 C ATOM 1127 C THR A 68 -3.813 3.614 20.635 1.00 0.00 C ATOM 1128 O THR A 68 -3.049 3.800 19.687 1.00 0.00 O ATOM 1129 CB THR A 68 -6.280 3.290 20.537 1.00 0.00 C ATOM 1130 OG1 THR A 68 -5.895 2.285 19.623 1.00 0.00 O ATOM 1131 CG2 THR A 68 -7.597 3.882 20.067 1.00 0.00 C ATOM 0 H THR A 68 -5.010 5.038 18.736 1.00 0.00 H new ATOM 0 HA THR A 68 -5.275 4.805 21.668 1.00 0.00 H new ATOM 0 HB THR A 68 -6.441 2.879 21.534 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.347 2.681 18.913 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.340 3.090 19.977 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.942 4.622 20.789 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.456 4.360 19.097 1.00 0.00 H new ATOM 1139 N ALA A 69 -3.536 2.803 21.650 1.00 0.00 N ATOM 1140 CA ALA A 69 -2.288 2.047 21.739 1.00 0.00 C ATOM 1141 C ALA A 69 -1.776 1.608 20.367 1.00 0.00 C ATOM 1142 O ALA A 69 -0.748 2.092 19.894 1.00 0.00 O ATOM 1143 CB ALA A 69 -2.499 0.838 22.631 1.00 0.00 C ATOM 0 H ALA A 69 -4.169 2.650 22.435 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.528 2.701 22.167 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.571 0.271 22.701 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.798 1.168 23.626 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.280 0.206 22.208 1.00 0.00 H new ATOM 1149 N GLY A 70 -2.499 0.691 19.732 1.00 0.00 N ATOM 1150 CA GLY A 70 -2.099 0.208 18.423 1.00 0.00 C ATOM 1151 C GLY A 70 -1.332 -1.099 18.496 1.00 0.00 C ATOM 1152 O GLY A 70 -0.202 -1.138 18.980 1.00 0.00 O ATOM 0 H GLY A 70 -3.354 0.274 20.100 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.985 0.071 17.803 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.481 0.961 17.934 1.00 0.00 H new ATOM 1156 N ASN A 71 -1.949 -2.174 18.012 1.00 0.00 N ATOM 1157 CA ASN A 71 -1.313 -3.488 18.021 1.00 0.00 C ATOM 1158 C ASN A 71 -2.044 -4.452 17.092 1.00 0.00 C ATOM 1159 O ASN A 71 -3.163 -4.187 16.663 1.00 0.00 O ATOM 1160 CB ASN A 71 -1.290 -4.058 19.441 1.00 0.00 C ATOM 1161 CG ASN A 71 0.010 -3.767 20.169 1.00 0.00 C ATOM 1162 OD1 ASN A 71 0.003 -3.318 21.316 1.00 0.00 O ATOM 1163 ND2 ASN A 71 1.135 -4.025 19.510 1.00 0.00 N ATOM 0 H ASN A 71 -2.886 -2.161 17.610 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.290 -3.369 17.665 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.121 -3.640 20.009 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.444 -5.136 19.398 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.037 -3.851 19.953 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.096 -4.397 18.561 1.00 0.00 H new ATOM 1170 N LEU A 72 -1.406 -5.577 16.790 1.00 0.00 N ATOM 1171 CA LEU A 72 -2.005 -6.581 15.918 1.00 0.00 C ATOM 1172 C LEU A 72 -2.863 -7.555 16.724 1.00 0.00 C ATOM 1173 O LEU A 72 -2.340 -8.356 17.497 1.00 0.00 O ATOM 1174 CB LEU A 72 -0.914 -7.354 15.173 1.00 0.00 C ATOM 1175 CG LEU A 72 0.136 -6.487 14.470 1.00 0.00 C ATOM 1176 CD1 LEU A 72 1.533 -6.785 14.999 1.00 0.00 C ATOM 1177 CD2 LEU A 72 0.079 -6.702 12.966 1.00 0.00 C ATOM 0 H LEU A 72 -0.476 -5.817 17.135 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.640 -6.068 15.196 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.406 -8.008 15.882 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.388 -7.996 14.430 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.089 -5.442 14.682 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.259 -6.156 14.483 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.569 -6.578 16.069 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.772 -7.834 14.824 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.831 -6.079 12.481 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.275 -7.750 12.741 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.910 -6.431 12.597 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.178 -7.510 16.512 1.00 0.00 N ATOM 1190 CA GLU A 73 -5.091 -8.424 17.196 1.00 0.00 C ATOM 1191 C GLU A 73 -5.575 -9.498 16.228 1.00 0.00 C ATOM 1192 O GLU A 73 -5.561 -9.297 15.012 1.00 0.00 O ATOM 1193 CB GLU A 73 -6.294 -7.684 17.790 1.00 0.00 C ATOM 1194 CG GLU A 73 -5.921 -6.559 18.739 1.00 0.00 C ATOM 1195 CD GLU A 73 -6.569 -6.713 20.101 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -6.087 -7.546 20.897 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -7.561 -6.003 20.370 1.00 0.00 O ATOM 0 H GLU A 73 -4.632 -6.855 15.876 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.543 -8.887 18.016 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.894 -7.275 16.977 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.922 -8.400 18.321 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.838 -6.530 18.856 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.220 -5.606 18.303 1.00 0.00 H new ATOM 1204 N GLY A 74 -6.013 -10.631 16.765 1.00 0.00 N ATOM 1205 CA GLY A 74 -6.505 -11.708 15.923 1.00 0.00 C ATOM 1206 C GLY A 74 -5.478 -12.179 14.911 1.00 0.00 C ATOM 1207 O GLY A 74 -4.407 -11.586 14.780 1.00 0.00 O ATOM 0 H GLY A 74 -6.037 -10.824 17.766 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.801 -12.548 16.551 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.399 -11.373 15.397 1.00 0.00 H new ATOM 1211 N GLY A 75 -5.805 -13.251 14.192 1.00 0.00 N ATOM 1212 CA GLY A 75 -4.895 -13.792 13.196 1.00 0.00 C ATOM 1213 C GLY A 75 -4.382 -12.740 12.230 1.00 0.00 C ATOM 1214 O GLY A 75 -3.254 -12.833 11.743 1.00 0.00 O ATOM 0 H GLY A 75 -6.687 -13.756 14.282 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.049 -14.258 13.700 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.403 -14.576 12.635 1.00 0.00 H new ATOM 1218 N ARG A 76 -5.209 -11.737 11.952 1.00 0.00 N ATOM 1219 CA ARG A 76 -4.832 -10.664 11.041 1.00 0.00 C ATOM 1220 C ARG A 76 -4.253 -9.482 11.814 1.00 0.00 C ATOM 1221 O ARG A 76 -3.917 -9.604 12.993 1.00 0.00 O ATOM 1222 CB ARG A 76 -6.044 -10.215 10.215 1.00 0.00 C ATOM 1223 CG ARG A 76 -5.899 -10.467 8.723 1.00 0.00 C ATOM 1224 CD ARG A 76 -5.739 -11.947 8.419 1.00 0.00 C ATOM 1225 NE ARG A 76 -6.846 -12.456 7.615 1.00 0.00 N ATOM 1226 CZ ARG A 76 -7.985 -12.919 8.124 1.00 0.00 C ATOM 1227 NH1 ARG A 76 -8.168 -12.971 9.439 1.00 0.00 N ATOM 1228 NH2 ARG A 76 -8.949 -13.329 7.312 1.00 0.00 N ATOM 0 H ARG A 76 -6.146 -11.646 12.346 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.067 -11.042 10.363 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.931 -10.735 10.577 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.209 -9.150 10.379 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.774 -10.080 8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.035 -9.921 8.343 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.800 -12.110 7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.680 -12.506 9.353 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.740 -12.457 6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.431 -12.654 10.069 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.045 -13.328 9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.816 -13.289 6.301 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.824 -13.685 7.698 1.00 0.00 H new ATOM 1242 N ALA A 77 -4.138 -8.340 11.144 1.00 0.00 N ATOM 1243 CA ALA A 77 -3.600 -7.139 11.772 1.00 0.00 C ATOM 1244 C ALA A 77 -4.724 -6.202 12.213 1.00 0.00 C ATOM 1245 O ALA A 77 -5.012 -5.203 11.551 1.00 0.00 O ATOM 1246 CB ALA A 77 -2.646 -6.433 10.818 1.00 0.00 C ATOM 0 H ALA A 77 -4.410 -8.221 10.168 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.046 -7.433 12.663 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.250 -5.537 11.296 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.824 -7.102 10.564 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.180 -6.153 9.910 1.00 0.00 H new ATOM 1252 N ILE A 78 -5.358 -6.537 13.336 1.00 0.00 N ATOM 1253 CA ILE A 78 -6.452 -5.733 13.873 1.00 0.00 C ATOM 1254 C ILE A 78 -5.945 -4.717 14.893 1.00 0.00 C ATOM 1255 O ILE A 78 -5.891 -5.010 16.088 1.00 0.00 O ATOM 1256 CB ILE A 78 -7.514 -6.606 14.570 1.00 0.00 C ATOM 1257 CG1 ILE A 78 -7.886 -7.818 13.717 1.00 0.00 C ATOM 1258 CG2 ILE A 78 -8.749 -5.783 14.907 1.00 0.00 C ATOM 1259 CD1 ILE A 78 -8.337 -9.009 14.539 1.00 0.00 C ATOM 0 H ILE A 78 -5.131 -7.362 13.892 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.897 -5.221 13.020 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.083 -6.976 15.500 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.682 -7.538 13.027 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.026 -8.106 13.112 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.486 -6.418 15.398 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.471 -4.967 15.574 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.175 -5.374 13.991 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.587 -9.836 13.874 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.534 -9.313 15.211 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.215 -8.736 15.124 1.00 0.00 H new ATOM 1271 N LEU A 79 -5.587 -3.521 14.431 1.00 0.00 N ATOM 1272 CA LEU A 79 -5.104 -2.479 15.335 1.00 0.00 C ATOM 1273 C LEU A 79 -6.240 -1.554 15.754 1.00 0.00 C ATOM 1274 O LEU A 79 -7.385 -1.740 15.347 1.00 0.00 O ATOM 1275 CB LEU A 79 -3.988 -1.664 14.683 1.00 0.00 C ATOM 1276 CG LEU A 79 -4.409 -0.881 13.439 1.00 0.00 C ATOM 1277 CD1 LEU A 79 -4.832 0.535 13.806 1.00 0.00 C ATOM 1278 CD2 LEU A 79 -3.283 -0.858 12.420 1.00 0.00 C ATOM 0 H LEU A 79 -5.621 -3.251 13.448 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.706 -2.971 16.222 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.591 -0.964 15.418 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.175 -2.338 14.413 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.267 -1.384 12.993 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.127 1.072 12.904 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.674 0.496 14.497 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.998 1.053 14.280 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.599 -0.297 11.541 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.406 -0.382 12.858 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.035 -1.879 12.129 1.00 0.00 H new ATOM 1290 N GLN A 80 -5.917 -0.557 16.573 1.00 0.00 N ATOM 1291 CA GLN A 80 -6.917 0.391 17.048 1.00 0.00 C ATOM 1292 C GLN A 80 -6.359 1.815 17.051 1.00 0.00 C ATOM 1293 O GLN A 80 -5.211 2.036 17.436 1.00 0.00 O ATOM 1294 CB GLN A 80 -7.377 -0.005 18.453 1.00 0.00 C ATOM 1295 CG GLN A 80 -8.882 0.039 18.643 1.00 0.00 C ATOM 1296 CD GLN A 80 -9.404 -1.151 19.424 1.00 0.00 C ATOM 1297 OE1 GLN A 80 -9.082 -2.300 19.118 1.00 0.00 O ATOM 1298 NE2 GLN A 80 -10.216 -0.880 20.439 1.00 0.00 N ATOM 0 H GLN A 80 -4.973 -0.386 16.920 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.771 0.366 16.372 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.023 -1.013 18.670 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.909 0.661 19.179 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.152 0.958 19.163 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.367 0.070 17.668 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.456 0.087 20.656 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.600 -1.639 21.002 1.00 0.00 H new ATOM 1307 N GLY A 81 -7.178 2.774 16.617 1.00 0.00 N ATOM 1308 CA GLY A 81 -6.748 4.164 16.575 1.00 0.00 C ATOM 1309 C GLY A 81 -7.656 5.026 15.716 1.00 0.00 C ATOM 1310 O GLY A 81 -8.769 5.360 16.121 1.00 0.00 O ATOM 0 H GLY A 81 -8.132 2.612 16.294 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.724 4.565 17.588 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.730 4.215 16.188 1.00 0.00 H new ATOM 1314 N LYS A 82 -7.179 5.390 14.527 1.00 0.00 N ATOM 1315 CA LYS A 82 -7.957 6.220 13.607 1.00 0.00 C ATOM 1316 C LYS A 82 -7.724 5.818 12.149 1.00 0.00 C ATOM 1317 O LYS A 82 -8.241 6.462 11.234 1.00 0.00 O ATOM 1318 CB LYS A 82 -7.595 7.692 13.786 1.00 0.00 C ATOM 1319 CG LYS A 82 -8.449 8.419 14.809 1.00 0.00 C ATOM 1320 CD LYS A 82 -8.525 9.904 14.495 1.00 0.00 C ATOM 1321 CE LYS A 82 -9.685 10.577 15.212 1.00 0.00 C ATOM 1322 NZ LYS A 82 -9.354 11.974 15.607 1.00 0.00 N ATOM 0 H LYS A 82 -6.258 5.124 14.178 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.010 6.066 13.843 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.549 7.764 14.084 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.688 8.198 12.825 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.452 7.994 14.819 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.032 8.275 15.806 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.591 10.385 14.785 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.634 10.042 13.419 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.561 10.580 14.563 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.948 10.001 16.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.169 12.400 16.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.534 11.969 16.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.128 12.530 14.758 1.00 0.00 H new ATOM 1336 N PHE A 83 -6.949 4.759 11.932 1.00 0.00 N ATOM 1337 CA PHE A 83 -6.660 4.290 10.584 1.00 0.00 C ATOM 1338 C PHE A 83 -7.760 3.355 10.086 1.00 0.00 C ATOM 1339 O PHE A 83 -7.481 2.300 9.518 1.00 0.00 O ATOM 1340 CB PHE A 83 -5.309 3.575 10.564 1.00 0.00 C ATOM 1341 CG PHE A 83 -4.264 4.291 9.761 1.00 0.00 C ATOM 1342 CD1 PHE A 83 -4.021 5.639 9.962 1.00 0.00 C ATOM 1343 CD2 PHE A 83 -3.521 3.613 8.810 1.00 0.00 C ATOM 1344 CE1 PHE A 83 -3.055 6.299 9.229 1.00 0.00 C ATOM 1345 CE2 PHE A 83 -2.553 4.266 8.074 1.00 0.00 C ATOM 1346 CZ PHE A 83 -2.319 5.611 8.284 1.00 0.00 C ATOM 0 H PHE A 83 -6.511 4.211 12.673 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.620 5.151 9.917 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.953 3.459 11.588 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -5.444 2.572 10.158 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.594 6.180 10.701 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -3.701 2.561 8.642 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.875 7.351 9.394 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.979 3.726 7.335 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.562 6.124 7.710 1.00 0.00 H new ATOM 1356 N THR A 84 -9.010 3.749 10.304 1.00 0.00 N ATOM 1357 CA THR A 84 -10.147 2.944 9.882 1.00 0.00 C ATOM 1358 C THR A 84 -10.489 3.219 8.422 1.00 0.00 C ATOM 1359 O THR A 84 -11.565 3.723 8.100 1.00 0.00 O ATOM 1360 CB THR A 84 -11.349 3.221 10.785 1.00 0.00 C ATOM 1361 OG1 THR A 84 -11.599 4.612 10.881 1.00 0.00 O ATOM 1362 CG2 THR A 84 -11.161 2.691 12.190 1.00 0.00 C ATOM 0 H THR A 84 -9.260 4.621 10.770 1.00 0.00 H new ATOM 0 HA THR A 84 -9.883 1.890 9.971 1.00 0.00 H new ATOM 0 HB THR A 84 -12.189 2.705 10.321 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.739 4.982 9.984 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.046 2.917 12.785 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.013 1.612 12.155 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.289 3.162 12.643 1.00 0.00 H new ATOM 1370 N HIS A 85 -9.545 2.883 7.550 1.00 0.00 N ATOM 1371 CA HIS A 85 -9.697 3.083 6.115 1.00 0.00 C ATOM 1372 C HIS A 85 -9.823 4.573 5.808 1.00 0.00 C ATOM 1373 O HIS A 85 -10.552 4.983 4.906 1.00 0.00 O ATOM 1374 CB HIS A 85 -10.932 2.314 5.624 1.00 0.00 C ATOM 1375 CG HIS A 85 -11.128 2.323 4.143 1.00 0.00 C ATOM 1376 ND1 HIS A 85 -10.444 1.488 3.285 1.00 0.00 N ATOM 1377 CD2 HIS A 85 -11.968 3.048 3.368 1.00 0.00 C ATOM 1378 CE1 HIS A 85 -10.855 1.695 2.047 1.00 0.00 C ATOM 1379 NE2 HIS A 85 -11.779 2.638 2.071 1.00 0.00 N ATOM 0 H HIS A 85 -8.654 2.465 7.818 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.818 2.703 5.594 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.856 1.280 5.960 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -11.818 2.738 6.096 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.658 3.807 3.706 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -10.497 1.182 1.167 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -12.273 3.003 1.257 1.00 0.00 H new ATOM 1387 N PHE A 86 -9.074 5.370 6.570 1.00 0.00 N ATOM 1388 CA PHE A 86 -9.049 6.820 6.403 1.00 0.00 C ATOM 1389 C PHE A 86 -7.915 7.265 5.482 1.00 0.00 C ATOM 1390 O PHE A 86 -8.121 7.521 4.295 1.00 0.00 O ATOM 1391 CB PHE A 86 -8.930 7.510 7.761 1.00 0.00 C ATOM 1392 CG PHE A 86 -10.261 7.772 8.403 1.00 0.00 C ATOM 1393 CD1 PHE A 86 -11.016 6.726 8.909 1.00 0.00 C ATOM 1394 CD2 PHE A 86 -10.761 9.061 8.496 1.00 0.00 C ATOM 1395 CE1 PHE A 86 -12.244 6.960 9.498 1.00 0.00 C ATOM 1396 CE2 PHE A 86 -11.990 9.302 9.084 1.00 0.00 C ATOM 1397 CZ PHE A 86 -12.731 8.249 9.586 1.00 0.00 C ATOM 0 H PHE A 86 -8.470 5.028 7.318 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.989 7.113 5.935 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -8.328 6.891 8.426 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.400 8.454 7.638 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -10.640 5.716 8.842 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.185 9.887 8.105 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.822 6.136 9.889 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -12.369 10.311 9.151 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.690 8.434 10.047 1.00 0.00 H new ATOM 1407 N LEU A 87 -6.712 7.356 6.056 1.00 0.00 N ATOM 1408 CA LEU A 87 -5.529 7.774 5.313 1.00 0.00 C ATOM 1409 C LEU A 87 -5.119 6.681 4.344 1.00 0.00 C ATOM 1410 O LEU A 87 -4.646 6.953 3.245 1.00 0.00 O ATOM 1411 CB LEU A 87 -4.361 8.089 6.263 1.00 0.00 C ATOM 1412 CG LEU A 87 -4.507 9.352 7.124 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -4.875 10.557 6.273 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -5.530 9.148 8.234 1.00 0.00 C ATOM 0 H LEU A 87 -6.536 7.144 7.038 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.776 8.681 4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.221 7.236 6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.452 8.183 5.669 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.539 9.546 7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.972 11.436 6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.096 10.730 5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.822 10.370 5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.611 10.059 8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.500 8.912 7.796 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.212 8.326 8.875 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.317 5.437 4.762 1.00 0.00 N ATOM 1427 CA ILE A 88 -4.981 4.293 3.929 1.00 0.00 C ATOM 1428 C ILE A 88 -5.682 4.403 2.575 1.00 0.00 C ATOM 1429 O ILE A 88 -5.035 4.484 1.535 1.00 0.00 O ATOM 1430 CB ILE A 88 -5.395 2.973 4.613 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -4.975 2.969 6.093 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -4.797 1.784 3.877 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -5.208 1.641 6.782 1.00 0.00 C ATOM 0 H ILE A 88 -5.708 5.196 5.673 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.901 4.289 3.782 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.481 2.891 4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.918 3.226 6.163 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.528 3.746 6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.098 0.861 4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.154 1.777 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.710 1.861 3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.890 1.710 7.822 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.268 1.392 6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.634 0.864 6.278 1.00 0.00 H new ATOM 1445 N ASN A 89 -7.009 4.400 2.605 1.00 0.00 N ATOM 1446 CA ASN A 89 -7.810 4.494 1.384 1.00 0.00 C ATOM 1447 C ASN A 89 -7.426 5.716 0.545 1.00 0.00 C ATOM 1448 O ASN A 89 -7.156 5.598 -0.650 1.00 0.00 O ATOM 1449 CB ASN A 89 -9.301 4.556 1.730 1.00 0.00 C ATOM 1450 CG ASN A 89 -10.202 4.574 0.504 1.00 0.00 C ATOM 1451 OD1 ASN A 89 -11.272 5.182 0.519 1.00 0.00 O ATOM 1452 ND2 ASN A 89 -9.779 3.908 -0.570 1.00 0.00 N ATOM 0 H ASN A 89 -7.557 4.333 3.462 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.608 3.601 0.793 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.559 3.697 2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.492 5.448 2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.348 3.891 -1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.886 3.415 -0.546 1.00 0.00 H new ATOM 1459 N GLU A 90 -7.420 6.886 1.177 1.00 0.00 N ATOM 1460 CA GLU A 90 -7.088 8.133 0.486 1.00 0.00 C ATOM 1461 C GLU A 90 -5.705 8.075 -0.157 1.00 0.00 C ATOM 1462 O GLU A 90 -5.566 8.278 -1.365 1.00 0.00 O ATOM 1463 CB GLU A 90 -7.161 9.312 1.457 1.00 0.00 C ATOM 1464 CG GLU A 90 -8.576 9.806 1.702 1.00 0.00 C ATOM 1465 CD GLU A 90 -8.616 11.268 2.098 1.00 0.00 C ATOM 1466 OE1 GLU A 90 -7.860 12.064 1.503 1.00 0.00 O ATOM 1467 OE2 GLU A 90 -9.401 11.616 3.004 1.00 0.00 O ATOM 0 H GLU A 90 -7.641 6.999 2.166 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.820 8.271 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.717 9.018 2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.560 10.133 1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.170 9.660 0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.036 9.207 2.487 1.00 0.00 H new ATOM 1474 N ARG A 91 -4.683 7.795 0.646 1.00 0.00 N ATOM 1475 CA ARG A 91 -3.317 7.713 0.141 1.00 0.00 C ATOM 1476 C ARG A 91 -3.211 6.666 -0.962 1.00 0.00 C ATOM 1477 O ARG A 91 -2.662 6.931 -2.034 1.00 0.00 O ATOM 1478 CB ARG A 91 -2.341 7.380 1.273 1.00 0.00 C ATOM 1479 CG ARG A 91 -1.070 8.214 1.250 1.00 0.00 C ATOM 1480 CD ARG A 91 -0.189 7.856 0.063 1.00 0.00 C ATOM 1481 NE ARG A 91 0.872 8.837 -0.146 1.00 0.00 N ATOM 1482 CZ ARG A 91 0.891 9.720 -1.144 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -0.074 9.735 -2.057 1.00 0.00 N ATOM 1484 NH2 ARG A 91 1.888 10.591 -1.233 1.00 0.00 N ATOM 0 H ARG A 91 -4.775 7.621 1.647 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.054 8.686 -0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.844 7.527 2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.074 6.325 1.212 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.329 9.272 1.206 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.515 8.059 2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.253 6.873 0.223 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.802 7.788 -0.836 1.00 0.00 H new ATOM 0 HE ARG A 91 1.649 8.847 0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.841 9.065 -1.999 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.048 10.416 -2.816 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.636 10.583 -0.539 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.907 11.269 -1.995 1.00 0.00 H new ATOM 1498 N ILE A 92 -3.743 5.473 -0.700 1.00 0.00 N ATOM 1499 CA ILE A 92 -3.700 4.404 -1.687 1.00 0.00 C ATOM 1500 C ILE A 92 -4.274 4.888 -3.016 1.00 0.00 C ATOM 1501 O ILE A 92 -3.599 4.851 -4.040 1.00 0.00 O ATOM 1502 CB ILE A 92 -4.510 3.165 -1.229 1.00 0.00 C ATOM 1503 CG1 ILE A 92 -3.796 2.451 -0.084 1.00 0.00 C ATOM 1504 CG2 ILE A 92 -4.722 2.203 -2.395 1.00 0.00 C ATOM 1505 CD1 ILE A 92 -4.574 1.289 0.493 1.00 0.00 C ATOM 0 H ILE A 92 -4.203 5.227 0.177 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.654 4.120 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.483 3.506 -0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.831 2.089 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.594 3.170 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.293 1.339 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.270 2.710 -3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.755 1.873 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.002 0.833 1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.528 1.647 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.754 0.549 -0.287 1.00 0.00 H new ATOM 1517 N GLU A 93 -5.526 5.345 -2.977 1.00 0.00 N ATOM 1518 CA GLU A 93 -6.222 5.835 -4.168 1.00 0.00 C ATOM 1519 C GLU A 93 -5.430 6.928 -4.878 1.00 0.00 C ATOM 1520 O GLU A 93 -5.533 7.092 -6.091 1.00 0.00 O ATOM 1521 CB GLU A 93 -7.613 6.357 -3.788 1.00 0.00 C ATOM 1522 CG GLU A 93 -8.656 6.180 -4.885 1.00 0.00 C ATOM 1523 CD GLU A 93 -9.847 5.347 -4.442 1.00 0.00 C ATOM 1524 OE1 GLU A 93 -10.037 5.183 -3.218 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -10.590 4.861 -5.321 1.00 0.00 O ATOM 0 H GLU A 93 -6.084 5.386 -2.124 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.324 4.998 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.952 5.840 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.538 7.415 -3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.005 7.161 -5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.190 5.707 -5.749 1.00 0.00 H new ATOM 1532 N ASP A 94 -4.641 7.673 -4.122 1.00 0.00 N ATOM 1533 CA ASP A 94 -3.842 8.742 -4.701 1.00 0.00 C ATOM 1534 C ASP A 94 -2.797 8.179 -5.658 1.00 0.00 C ATOM 1535 O ASP A 94 -2.602 8.701 -6.755 1.00 0.00 O ATOM 1536 CB ASP A 94 -3.168 9.555 -3.596 1.00 0.00 C ATOM 1537 CG ASP A 94 -3.678 10.982 -3.539 1.00 0.00 C ATOM 1538 OD1 ASP A 94 -3.516 11.710 -4.540 1.00 0.00 O ATOM 1539 OD2 ASP A 94 -4.239 11.370 -2.494 1.00 0.00 O ATOM 0 H ASP A 94 -4.536 7.560 -3.114 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.504 9.398 -5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.341 9.071 -2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.090 9.563 -3.760 1.00 0.00 H new ATOM 1544 N TYR A 95 -2.131 7.107 -5.240 1.00 0.00 N ATOM 1545 CA TYR A 95 -1.110 6.476 -6.067 1.00 0.00 C ATOM 1546 C TYR A 95 -1.736 5.463 -7.026 1.00 0.00 C ATOM 1547 O TYR A 95 -1.592 5.581 -8.242 1.00 0.00 O ATOM 1548 CB TYR A 95 -0.046 5.804 -5.191 1.00 0.00 C ATOM 1549 CG TYR A 95 1.295 5.660 -5.874 1.00 0.00 C ATOM 1550 CD1 TYR A 95 2.037 6.779 -6.233 1.00 0.00 C ATOM 1551 CD2 TYR A 95 1.815 4.407 -6.166 1.00 0.00 C ATOM 1552 CE1 TYR A 95 3.260 6.651 -6.865 1.00 0.00 C ATOM 1553 CE2 TYR A 95 3.038 4.270 -6.797 1.00 0.00 C ATOM 1554 CZ TYR A 95 3.755 5.395 -7.144 1.00 0.00 C ATOM 1555 OH TYR A 95 4.971 5.264 -7.775 1.00 0.00 O ATOM 0 H TYR A 95 -2.280 6.659 -4.336 1.00 0.00 H new ATOM 0 HA TYR A 95 -0.627 7.252 -6.661 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.081 6.385 -4.278 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.401 4.817 -4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.652 7.764 -6.015 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.255 3.524 -5.896 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.824 7.530 -7.139 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.429 3.287 -7.017 1.00 0.00 H new ATOM 0 HH TYR A 95 5.176 4.313 -7.897 1.00 0.00 H new ATOM 1565 N VAL A 96 -2.432 4.466 -6.476 1.00 0.00 N ATOM 1566 CA VAL A 96 -3.072 3.442 -7.298 1.00 0.00 C ATOM 1567 C VAL A 96 -4.050 4.053 -8.303 1.00 0.00 C ATOM 1568 O VAL A 96 -4.115 3.608 -9.449 1.00 0.00 O ATOM 1569 CB VAL A 96 -3.809 2.375 -6.452 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -2.853 1.690 -5.488 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -4.980 2.978 -5.701 1.00 0.00 C ATOM 0 H VAL A 96 -2.565 4.348 -5.472 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.263 2.951 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.201 1.625 -7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.395 0.945 -4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.057 1.202 -6.050 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.420 2.431 -4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.476 2.203 -5.117 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.620 3.761 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.687 3.405 -6.412 1.00 0.00 H new ATOM 1581 N ASN A 97 -4.804 5.082 -7.892 1.00 0.00 N ATOM 1582 CA ASN A 97 -5.750 5.734 -8.798 1.00 0.00 C ATOM 1583 C ASN A 97 -5.270 7.128 -9.149 1.00 0.00 C ATOM 1584 O ASN A 97 -6.041 8.088 -9.100 1.00 0.00 O ATOM 1585 CB ASN A 97 -7.153 5.865 -8.191 1.00 0.00 C ATOM 1586 CG ASN A 97 -7.892 4.555 -8.013 1.00 0.00 C ATOM 1587 OD1 ASN A 97 -9.066 4.550 -7.644 1.00 0.00 O ATOM 1588 ND2 ASN A 97 -7.231 3.440 -8.269 1.00 0.00 N ATOM 0 H ASN A 97 -4.776 5.474 -6.951 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.805 5.101 -9.684 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -7.070 6.354 -7.220 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.749 6.519 -8.827 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.693 2.537 -8.163 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.258 3.482 -8.573 1.00 0.00 H new ATOM 1595 N LYS A 98 -4.007 7.249 -9.517 1.00 0.00 N ATOM 1596 CA LYS A 98 -3.468 8.549 -9.881 1.00 0.00 C ATOM 1597 C LYS A 98 -3.874 8.904 -11.308 1.00 0.00 C ATOM 1598 O LYS A 98 -3.507 9.963 -11.816 1.00 0.00 O ATOM 1599 CB LYS A 98 -1.944 8.562 -9.760 1.00 0.00 C ATOM 1600 CG LYS A 98 -1.253 7.695 -10.796 1.00 0.00 C ATOM 1601 CD LYS A 98 0.043 7.107 -10.263 1.00 0.00 C ATOM 1602 CE LYS A 98 1.209 7.374 -11.203 1.00 0.00 C ATOM 1603 NZ LYS A 98 0.818 7.238 -12.634 1.00 0.00 N ATOM 0 H LYS A 98 -3.343 6.476 -9.572 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.876 9.290 -9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.587 9.587 -9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.662 8.220 -8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.921 6.889 -11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.044 8.288 -11.686 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.260 7.533 -9.283 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.075 6.032 -10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.593 8.379 -11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.019 6.679 -10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.639 6.923 -13.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.053 6.539 -12.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.489 8.157 -12.993 1.00 0.00 H new ATOM 1617 N PHE A 99 -4.647 8.024 -11.950 1.00 0.00 N ATOM 1618 CA PHE A 99 -5.102 8.275 -13.307 1.00 0.00 C ATOM 1619 C PHE A 99 -6.258 9.278 -13.305 1.00 0.00 C ATOM 1620 O PHE A 99 -6.266 10.232 -14.084 1.00 0.00 O ATOM 1621 CB PHE A 99 -5.510 6.972 -14.034 1.00 0.00 C ATOM 1622 CG PHE A 99 -5.941 5.817 -13.152 1.00 0.00 C ATOM 1623 CD1 PHE A 99 -7.046 5.924 -12.322 1.00 0.00 C ATOM 1624 CD2 PHE A 99 -5.252 4.610 -13.177 1.00 0.00 C ATOM 1625 CE1 PHE A 99 -7.453 4.864 -11.534 1.00 0.00 C ATOM 1626 CE2 PHE A 99 -5.656 3.544 -12.393 1.00 0.00 C ATOM 1627 CZ PHE A 99 -6.757 3.671 -11.569 1.00 0.00 C ATOM 0 H PHE A 99 -4.965 7.141 -11.551 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.265 8.702 -13.859 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.327 7.203 -14.718 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.668 6.642 -14.643 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.598 6.852 -12.291 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.389 4.503 -13.818 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.315 4.968 -10.891 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.110 2.613 -12.425 1.00 0.00 H new ATOM 0 HZ PHE A 99 -7.073 2.841 -10.954 1.00 0.00 H new ATOM 1637 N VAL A 100 -7.237 9.050 -12.433 1.00 0.00 N ATOM 1638 CA VAL A 100 -8.403 9.922 -12.338 1.00 0.00 C ATOM 1639 C VAL A 100 -8.226 10.994 -11.264 1.00 0.00 C ATOM 1640 O VAL A 100 -8.959 11.983 -11.240 1.00 0.00 O ATOM 1641 CB VAL A 100 -9.683 9.115 -12.032 1.00 0.00 C ATOM 1642 CG1 VAL A 100 -10.925 9.971 -12.238 1.00 0.00 C ATOM 1643 CG2 VAL A 100 -9.748 7.861 -12.892 1.00 0.00 C ATOM 0 H VAL A 100 -7.245 8.266 -11.781 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.503 10.408 -13.309 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.649 8.811 -10.986 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.814 9.381 -12.016 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.887 10.834 -11.573 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.964 10.312 -13.273 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -10.658 7.307 -12.660 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.753 8.142 -13.945 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.880 7.234 -12.688 1.00 0.00 H new ATOM 1653 N ILE A 101 -7.256 10.796 -10.377 1.00 0.00 N ATOM 1654 CA ILE A 101 -6.995 11.751 -9.306 1.00 0.00 C ATOM 1655 C ILE A 101 -5.958 12.786 -9.746 1.00 0.00 C ATOM 1656 O ILE A 101 -6.207 13.991 -9.683 1.00 0.00 O ATOM 1657 CB ILE A 101 -6.532 11.021 -8.024 1.00 0.00 C ATOM 1658 CG1 ILE A 101 -7.751 10.599 -7.197 1.00 0.00 C ATOM 1659 CG2 ILE A 101 -5.591 11.885 -7.195 1.00 0.00 C ATOM 1660 CD1 ILE A 101 -7.939 9.100 -7.119 1.00 0.00 C ATOM 0 H ILE A 101 -6.639 9.984 -10.379 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.924 12.275 -9.082 1.00 0.00 H new ATOM 0 HB ILE A 101 -5.977 10.131 -8.321 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -7.650 10.997 -6.187 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.646 11.047 -7.629 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.287 11.339 -6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.710 12.134 -7.786 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -6.102 12.802 -6.902 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.820 8.875 -6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.072 8.697 -8.123 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -7.061 8.647 -6.659 1.00 0.00 H new ATOM 1672 N CYS A 102 -4.793 12.312 -10.176 1.00 0.00 N ATOM 1673 CA CYS A 102 -3.721 13.202 -10.614 1.00 0.00 C ATOM 1674 C CYS A 102 -3.904 13.615 -12.075 1.00 0.00 C ATOM 1675 O CYS A 102 -2.931 13.781 -12.811 1.00 0.00 O ATOM 1676 CB CYS A 102 -2.361 12.528 -10.427 1.00 0.00 C ATOM 1677 SG CYS A 102 -0.947 13.618 -10.716 1.00 0.00 S ATOM 0 H CYS A 102 -4.566 11.319 -10.231 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.762 14.101 -9.999 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.300 12.134 -9.413 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -2.294 11.677 -11.105 1.00 0.00 H new ATOM 0 HG CYS A 102 -1.331 14.654 -11.401 1.00 0.00 H new ATOM 1682 N HIS A 103 -5.159 13.786 -12.485 1.00 0.00 N ATOM 1683 CA HIS A 103 -5.485 14.187 -13.852 1.00 0.00 C ATOM 1684 C HIS A 103 -4.657 13.412 -14.878 1.00 0.00 C ATOM 1685 O HIS A 103 -4.113 13.995 -15.815 1.00 0.00 O ATOM 1686 CB HIS A 103 -5.266 15.693 -14.025 1.00 0.00 C ATOM 1687 CG HIS A 103 -6.458 16.519 -13.651 1.00 0.00 C ATOM 1688 ND1 HIS A 103 -7.454 16.069 -12.810 1.00 0.00 N ATOM 1689 CD2 HIS A 103 -6.813 17.777 -14.008 1.00 0.00 C ATOM 1690 CE1 HIS A 103 -8.370 17.010 -12.667 1.00 0.00 C ATOM 1691 NE2 HIS A 103 -8.004 18.057 -13.383 1.00 0.00 N ATOM 0 H HIS A 103 -5.973 13.652 -11.885 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.535 13.953 -14.027 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -4.416 16.000 -13.416 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.005 15.897 -15.063 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.262 18.437 -14.662 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.265 16.936 -12.067 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.522 18.932 -13.460 1.00 0.00 H new ATOM 1699 N GLU A 104 -4.563 12.098 -14.676 1.00 0.00 N ATOM 1700 CA GLU A 104 -3.799 11.211 -15.559 1.00 0.00 C ATOM 1701 C GLU A 104 -2.470 11.828 -15.970 1.00 0.00 C ATOM 1702 O GLU A 104 -2.274 12.220 -17.120 1.00 0.00 O ATOM 1703 CB GLU A 104 -4.616 10.814 -16.797 1.00 0.00 C ATOM 1704 CG GLU A 104 -4.871 11.943 -17.787 1.00 0.00 C ATOM 1705 CD GLU A 104 -6.348 12.217 -17.992 1.00 0.00 C ATOM 1706 OE1 GLU A 104 -6.962 12.856 -17.112 1.00 0.00 O ATOM 1707 OE2 GLU A 104 -6.894 11.788 -19.031 1.00 0.00 O ATOM 0 H GLU A 104 -5.013 11.617 -13.897 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.583 10.307 -14.989 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.096 10.008 -17.314 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.576 10.415 -16.468 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.383 12.850 -17.431 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.416 11.691 -18.745 1.00 0.00 H new ATOM 1714 N CYS A 105 -1.551 11.894 -15.015 1.00 0.00 N ATOM 1715 CA CYS A 105 -0.226 12.447 -15.256 1.00 0.00 C ATOM 1716 C CYS A 105 0.655 11.452 -16.013 1.00 0.00 C ATOM 1717 O CYS A 105 1.808 11.227 -15.644 1.00 0.00 O ATOM 1718 CB CYS A 105 0.428 12.815 -13.923 1.00 0.00 C ATOM 1719 SG CYS A 105 1.033 14.514 -13.843 1.00 0.00 S ATOM 0 H CYS A 105 -1.702 11.569 -14.060 1.00 0.00 H new ATOM 0 HA CYS A 105 -0.332 13.342 -15.870 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.294 12.660 -13.121 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.260 12.135 -13.739 1.00 0.00 H new ATOM 0 HG CYS A 105 0.139 15.267 -13.273 1.00 0.00 H new ATOM 1724 N ASN A 106 0.120 10.876 -17.087 1.00 0.00 N ATOM 1725 CA ASN A 106 0.868 9.928 -17.901 1.00 0.00 C ATOM 1726 C ASN A 106 1.920 10.650 -18.733 1.00 0.00 C ATOM 1727 O ASN A 106 3.120 10.539 -18.481 1.00 0.00 O ATOM 1728 CB ASN A 106 -0.079 9.160 -18.822 1.00 0.00 C ATOM 1729 CG ASN A 106 -0.600 7.886 -18.187 1.00 0.00 C ATOM 1730 OD1 ASN A 106 0.131 6.906 -18.042 1.00 0.00 O ATOM 1731 ND2 ASN A 106 -1.874 7.892 -17.810 1.00 0.00 N ATOM 0 H ASN A 106 -0.831 11.051 -17.412 1.00 0.00 H new ATOM 0 HA ASN A 106 1.368 9.225 -17.235 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -0.920 9.800 -19.088 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.440 8.914 -19.748 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -2.283 7.062 -17.381 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -2.443 8.727 -17.949 1.00 0.00 H new ATOM 1738 N ARG A 107 1.447 11.386 -19.731 1.00 0.00 N ATOM 1739 CA ARG A 107 2.318 12.136 -20.624 1.00 0.00 C ATOM 1740 C ARG A 107 2.843 13.399 -19.942 1.00 0.00 C ATOM 1741 O ARG A 107 2.071 14.157 -19.358 1.00 0.00 O ATOM 1742 CB ARG A 107 1.552 12.511 -21.891 1.00 0.00 C ATOM 1743 CG ARG A 107 2.371 12.390 -23.162 1.00 0.00 C ATOM 1744 CD ARG A 107 2.865 10.969 -23.378 1.00 0.00 C ATOM 1745 NE ARG A 107 4.246 10.947 -23.853 1.00 0.00 N ATOM 1746 CZ ARG A 107 4.687 10.169 -24.840 1.00 0.00 C ATOM 1747 NH1 ARG A 107 3.872 9.306 -25.436 1.00 0.00 N ATOM 1748 NH2 ARG A 107 5.952 10.251 -25.227 1.00 0.00 N ATOM 0 H ARG A 107 0.454 11.479 -19.943 1.00 0.00 H new ATOM 0 HA ARG A 107 3.171 11.509 -20.883 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.673 11.872 -21.975 1.00 0.00 H new ATOM 0 HB3 ARG A 107 1.194 13.536 -21.797 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.767 12.699 -24.015 1.00 0.00 H new ATOM 0 HG3 ARG A 107 3.223 13.068 -23.112 1.00 0.00 H new ATOM 0 HD2 ARG A 107 2.792 10.412 -22.444 1.00 0.00 H new ATOM 0 HD3 ARG A 107 2.223 10.466 -24.101 1.00 0.00 H new ATOM 0 HE ARG A 107 4.916 11.568 -23.399 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.899 9.235 -25.139 1.00 0.00 H new ATOM 0 HH12 ARG A 107 4.219 8.715 -26.191 1.00 0.00 H new ATOM 0 HH21 ARG A 107 6.584 10.908 -24.769 1.00 0.00 H new ATOM 0 HH22 ARG A 107 6.294 9.657 -25.982 1.00 0.00 H new ATOM 1762 N PRO A 108 4.168 13.641 -20.004 1.00 0.00 N ATOM 1763 CA PRO A 108 4.793 14.821 -19.385 1.00 0.00 C ATOM 1764 C PRO A 108 4.201 16.140 -19.878 1.00 0.00 C ATOM 1765 O PRO A 108 4.815 16.848 -20.677 1.00 0.00 O ATOM 1766 CB PRO A 108 6.263 14.710 -19.803 1.00 0.00 C ATOM 1767 CG PRO A 108 6.466 13.267 -20.108 1.00 0.00 C ATOM 1768 CD PRO A 108 5.162 12.783 -20.674 1.00 0.00 C ATOM 0 HA PRO A 108 4.637 14.832 -18.306 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.474 15.331 -20.673 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.927 15.042 -19.005 1.00 0.00 H new ATOM 0 HG2 PRO A 108 7.278 13.128 -20.822 1.00 0.00 H new ATOM 0 HG3 PRO A 108 6.733 12.711 -19.209 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.126 12.895 -21.758 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.995 11.728 -20.457 1.00 0.00 H new ATOM 1776 N ASP A 109 3.010 16.471 -19.391 1.00 0.00 N ATOM 1777 CA ASP A 109 2.341 17.710 -19.772 1.00 0.00 C ATOM 1778 C ASP A 109 2.487 18.776 -18.684 1.00 0.00 C ATOM 1779 O ASP A 109 2.051 19.915 -18.856 1.00 0.00 O ATOM 1780 CB ASP A 109 0.860 17.448 -20.051 1.00 0.00 C ATOM 1781 CG ASP A 109 0.506 17.644 -21.512 1.00 0.00 C ATOM 1782 OD1 ASP A 109 0.434 18.810 -21.954 1.00 0.00 O ATOM 1783 OD2 ASP A 109 0.304 16.632 -22.215 1.00 0.00 O ATOM 0 H ASP A 109 2.487 15.897 -18.730 1.00 0.00 H new ATOM 0 HA ASP A 109 2.817 18.082 -20.679 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.611 16.430 -19.753 1.00 0.00 H new ATOM 0 HB3 ASP A 109 0.254 18.116 -19.440 1.00 0.00 H new ATOM 1788 N THR A 110 3.091 18.395 -17.562 1.00 0.00 N ATOM 1789 CA THR A 110 3.283 19.307 -16.440 1.00 0.00 C ATOM 1790 C THR A 110 4.670 19.126 -15.834 1.00 0.00 C ATOM 1791 O THR A 110 5.434 18.261 -16.261 1.00 0.00 O ATOM 1792 CB THR A 110 2.204 19.076 -15.385 1.00 0.00 C ATOM 1793 OG1 THR A 110 2.172 17.717 -14.989 1.00 0.00 O ATOM 1794 CG2 THR A 110 0.819 19.447 -15.867 1.00 0.00 C ATOM 0 H THR A 110 3.457 17.456 -17.406 1.00 0.00 H new ATOM 0 HA THR A 110 3.201 20.331 -16.805 1.00 0.00 H new ATOM 0 HB THR A 110 2.469 19.722 -14.548 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.475 17.590 -14.312 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.095 19.261 -15.073 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.798 20.503 -16.136 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.564 18.845 -16.739 1.00 0.00 H new ATOM 1802 N ARG A 111 4.998 19.954 -14.847 1.00 0.00 N ATOM 1803 CA ARG A 111 6.305 19.883 -14.203 1.00 0.00 C ATOM 1804 C ARG A 111 6.285 18.918 -13.020 1.00 0.00 C ATOM 1805 O ARG A 111 5.814 19.255 -11.934 1.00 0.00 O ATOM 1806 CB ARG A 111 6.743 21.276 -13.737 1.00 0.00 C ATOM 1807 CG ARG A 111 8.042 21.745 -14.371 1.00 0.00 C ATOM 1808 CD ARG A 111 7.823 22.216 -15.799 1.00 0.00 C ATOM 1809 NE ARG A 111 9.015 22.851 -16.355 1.00 0.00 N ATOM 1810 CZ ARG A 111 9.364 24.112 -16.112 1.00 0.00 C ATOM 1811 NH1 ARG A 111 8.619 24.876 -15.323 1.00 0.00 N ATOM 1812 NH2 ARG A 111 10.465 24.609 -16.658 1.00 0.00 N ATOM 0 H ARG A 111 4.381 20.678 -14.478 1.00 0.00 H new ATOM 0 HA ARG A 111 7.021 19.509 -14.935 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.955 21.993 -13.969 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.859 21.269 -12.653 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.465 22.557 -13.779 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.768 20.932 -14.362 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.541 21.367 -16.421 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.992 22.920 -15.825 1.00 0.00 H new ATOM 0 HE ARG A 111 9.615 22.296 -16.965 1.00 0.00 H new ATOM 0 HH11 ARG A 111 7.772 24.498 -14.898 1.00 0.00 H new ATOM 0 HH12 ARG A 111 8.893 25.842 -15.141 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.043 24.025 -17.263 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.735 25.575 -16.473 1.00 0.00 H new ATOM 1826 N ILE A 112 6.809 17.715 -13.245 1.00 0.00 N ATOM 1827 CA ILE A 112 6.864 16.693 -12.207 1.00 0.00 C ATOM 1828 C ILE A 112 8.278 16.553 -11.650 1.00 0.00 C ATOM 1829 O ILE A 112 9.255 16.561 -12.399 1.00 0.00 O ATOM 1830 CB ILE A 112 6.400 15.323 -12.744 1.00 0.00 C ATOM 1831 CG1 ILE A 112 5.014 15.438 -13.382 1.00 0.00 C ATOM 1832 CG2 ILE A 112 6.388 14.291 -11.626 1.00 0.00 C ATOM 1833 CD1 ILE A 112 4.637 14.241 -14.230 1.00 0.00 C ATOM 0 H ILE A 112 7.202 17.425 -14.140 1.00 0.00 H new ATOM 0 HA ILE A 112 6.191 17.012 -11.411 1.00 0.00 H new ATOM 0 HB ILE A 112 7.104 14.996 -13.509 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.270 15.564 -12.595 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.981 16.336 -14.000 1.00 0.00 H new ATOM 0 HG21 ILE A 112 6.058 13.330 -12.021 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.392 14.189 -11.214 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.705 14.614 -10.840 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.643 14.392 -14.650 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.359 14.126 -15.038 1.00 0.00 H new ATOM 0 HD13 ILE A 112 4.638 13.343 -13.612 1.00 0.00 H new ATOM 1845 N ILE A 113 8.380 16.417 -10.333 1.00 0.00 N ATOM 1846 CA ILE A 113 9.671 16.267 -9.671 1.00 0.00 C ATOM 1847 C ILE A 113 9.570 15.235 -8.555 1.00 0.00 C ATOM 1848 O ILE A 113 8.667 15.312 -7.725 1.00 0.00 O ATOM 1849 CB ILE A 113 10.161 17.608 -9.080 1.00 0.00 C ATOM 1850 CG1 ILE A 113 10.296 18.660 -10.185 1.00 0.00 C ATOM 1851 CG2 ILE A 113 11.488 17.429 -8.351 1.00 0.00 C ATOM 1852 CD1 ILE A 113 11.356 18.327 -11.213 1.00 0.00 C ATOM 0 H ILE A 113 7.580 16.408 -9.700 1.00 0.00 H new ATOM 0 HA ILE A 113 10.390 15.935 -10.420 1.00 0.00 H new ATOM 0 HB ILE A 113 9.421 17.952 -8.358 1.00 0.00 H new ATOM 0 HG12 ILE A 113 9.336 18.771 -10.689 1.00 0.00 H new ATOM 0 HG13 ILE A 113 10.531 19.623 -9.732 1.00 0.00 H new ATOM 0 HG21 ILE A 113 11.812 18.387 -7.944 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.363 16.713 -7.538 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.239 17.059 -9.049 1.00 0.00 H new ATOM 0 HD11 ILE A 113 11.395 19.116 -11.964 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.326 18.245 -10.722 1.00 0.00 H new ATOM 0 HD13 ILE A 113 11.112 17.380 -11.694 1.00 0.00 H new ATOM 1864 N ARG A 114 10.494 14.273 -8.541 1.00 0.00 N ATOM 1865 CA ARG A 114 10.487 13.229 -7.519 1.00 0.00 C ATOM 1866 C ARG A 114 11.803 13.188 -6.750 1.00 0.00 C ATOM 1867 O ARG A 114 12.881 13.146 -7.344 1.00 0.00 O ATOM 1868 CB ARG A 114 10.223 11.858 -8.144 1.00 0.00 C ATOM 1869 CG ARG A 114 11.065 11.581 -9.375 1.00 0.00 C ATOM 1870 CD ARG A 114 10.398 12.119 -10.628 1.00 0.00 C ATOM 1871 NE ARG A 114 9.586 11.102 -11.289 1.00 0.00 N ATOM 1872 CZ ARG A 114 9.099 11.227 -12.520 1.00 0.00 C ATOM 1873 NH1 ARG A 114 9.319 12.334 -13.217 1.00 0.00 N ATOM 1874 NH2 ARG A 114 8.384 10.247 -13.053 1.00 0.00 N ATOM 0 H ARG A 114 11.251 14.196 -9.221 1.00 0.00 H new ATOM 0 HA ARG A 114 9.684 13.470 -6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.416 11.085 -7.400 1.00 0.00 H new ATOM 0 HB3 ARG A 114 9.169 11.786 -8.411 1.00 0.00 H new ATOM 0 HG2 ARG A 114 12.047 12.039 -9.258 1.00 0.00 H new ATOM 0 HG3 ARG A 114 11.224 10.507 -9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.771 12.972 -10.368 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.160 12.481 -11.318 1.00 0.00 H new ATOM 0 HE ARG A 114 9.380 10.245 -10.776 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.864 13.094 -12.809 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.943 12.425 -14.161 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.207 9.396 -12.519 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.011 10.343 -13.997 1.00 0.00 H new ATOM 1888 N GLU A 115 11.704 13.204 -5.424 1.00 0.00 N ATOM 1889 CA GLU A 115 12.888 13.173 -4.567 1.00 0.00 C ATOM 1890 C GLU A 115 12.833 11.999 -3.591 1.00 0.00 C ATOM 1891 O GLU A 115 11.789 11.715 -3.002 1.00 0.00 O ATOM 1892 CB GLU A 115 13.016 14.494 -3.798 1.00 0.00 C ATOM 1893 CG GLU A 115 14.139 14.513 -2.769 1.00 0.00 C ATOM 1894 CD GLU A 115 15.414 15.131 -3.310 1.00 0.00 C ATOM 1895 OE1 GLU A 115 15.513 16.377 -3.318 1.00 0.00 O ATOM 1896 OE2 GLU A 115 16.313 14.371 -3.725 1.00 0.00 O ATOM 0 H GLU A 115 10.818 13.238 -4.919 1.00 0.00 H new ATOM 0 HA GLU A 115 13.763 13.042 -5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 115 13.179 15.302 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.072 14.700 -3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.813 15.071 -1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 115 14.344 13.494 -2.441 1.00 0.00 H new ATOM 1903 N GLY A 116 13.968 11.328 -3.423 1.00 0.00 N ATOM 1904 CA GLY A 116 14.039 10.199 -2.514 1.00 0.00 C ATOM 1905 C GLY A 116 13.828 8.869 -3.211 1.00 0.00 C ATOM 1906 O GLY A 116 13.243 7.949 -2.639 1.00 0.00 O ATOM 0 H GLY A 116 14.842 11.547 -3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 116 15.011 10.196 -2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.287 10.319 -1.734 1.00 0.00 H new ATOM 1910 N ARG A 117 14.300 8.762 -4.450 1.00 0.00 N ATOM 1911 CA ARG A 117 14.150 7.532 -5.218 1.00 0.00 C ATOM 1912 C ARG A 117 12.677 7.138 -5.314 1.00 0.00 C ATOM 1913 O ARG A 117 12.288 6.033 -4.932 1.00 0.00 O ATOM 1914 CB ARG A 117 14.967 6.405 -4.579 1.00 0.00 C ATOM 1915 CG ARG A 117 15.794 5.618 -5.582 1.00 0.00 C ATOM 1916 CD ARG A 117 14.916 4.948 -6.627 1.00 0.00 C ATOM 1917 NE ARG A 117 15.274 3.545 -6.824 1.00 0.00 N ATOM 1918 CZ ARG A 117 14.389 2.553 -6.935 1.00 0.00 C ATOM 1919 NH1 ARG A 117 13.085 2.800 -6.891 1.00 0.00 N ATOM 1920 NH2 ARG A 117 14.813 1.308 -7.098 1.00 0.00 N ATOM 0 H ARG A 117 14.788 9.511 -4.942 1.00 0.00 H new ATOM 0 HA ARG A 117 14.525 7.704 -6.227 1.00 0.00 H new ATOM 0 HB2 ARG A 117 15.630 6.829 -3.825 1.00 0.00 H new ATOM 0 HB3 ARG A 117 14.291 5.724 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 117 16.502 6.285 -6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 117 16.379 4.862 -5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 117 13.872 5.016 -6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 117 15.007 5.482 -7.573 1.00 0.00 H new ATOM 0 HE ARG A 117 16.265 3.309 -6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 117 12.751 3.756 -6.771 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.418 2.033 -6.977 1.00 0.00 H new ATOM 0 HH21 ARG A 117 15.813 1.111 -7.138 1.00 0.00 H new ATOM 0 HH22 ARG A 117 14.139 0.547 -7.183 1.00 0.00 H new ATOM 1934 N ILE A 118 11.862 8.064 -5.818 1.00 0.00 N ATOM 1935 CA ILE A 118 10.426 7.842 -5.960 1.00 0.00 C ATOM 1936 C ILE A 118 9.748 7.823 -4.592 1.00 0.00 C ATOM 1937 O ILE A 118 9.098 6.847 -4.217 1.00 0.00 O ATOM 1938 CB ILE A 118 10.114 6.526 -6.709 1.00 0.00 C ATOM 1939 CG1 ILE A 118 10.888 6.461 -8.029 1.00 0.00 C ATOM 1940 CG2 ILE A 118 8.620 6.405 -6.968 1.00 0.00 C ATOM 1941 CD1 ILE A 118 10.529 7.568 -9.000 1.00 0.00 C ATOM 0 H ILE A 118 12.176 8.981 -6.136 1.00 0.00 H new ATOM 0 HA ILE A 118 10.033 8.669 -6.551 1.00 0.00 H new ATOM 0 HB ILE A 118 10.429 5.692 -6.082 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.956 6.508 -7.817 1.00 0.00 H new ATOM 0 HG13 ILE A 118 10.700 5.498 -8.504 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.417 5.473 -7.496 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.085 6.408 -6.019 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.287 7.246 -7.575 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.116 7.457 -9.911 1.00 0.00 H new ATOM 0 HD12 ILE A 118 9.468 7.509 -9.243 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.744 8.535 -8.545 1.00 0.00 H new ATOM 1953 N SER A 119 9.911 8.917 -3.852 1.00 0.00 N ATOM 1954 CA SER A 119 9.322 9.040 -2.524 1.00 0.00 C ATOM 1955 C SER A 119 8.367 10.231 -2.465 1.00 0.00 C ATOM 1956 O SER A 119 7.300 10.155 -1.856 1.00 0.00 O ATOM 1957 CB SER A 119 10.428 9.181 -1.470 1.00 0.00 C ATOM 1958 OG SER A 119 10.002 8.698 -0.207 1.00 0.00 O ATOM 0 H SER A 119 10.447 9.731 -4.151 1.00 0.00 H new ATOM 0 HA SER A 119 8.749 8.137 -2.312 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.312 8.631 -1.792 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.718 10.228 -1.382 1.00 0.00 H new ATOM 0 HG SER A 119 10.728 8.799 0.444 1.00 0.00 H new ATOM 1964 N LEU A 120 8.748 11.320 -3.127 1.00 0.00 N ATOM 1965 CA LEU A 120 7.917 12.520 -3.173 1.00 0.00 C ATOM 1966 C LEU A 120 7.760 13.004 -4.606 1.00 0.00 C ATOM 1967 O LEU A 120 8.546 12.635 -5.475 1.00 0.00 O ATOM 1968 CB LEU A 120 8.529 13.642 -2.340 1.00 0.00 C ATOM 1969 CG LEU A 120 8.522 13.431 -0.827 1.00 0.00 C ATOM 1970 CD1 LEU A 120 7.207 12.826 -0.359 1.00 0.00 C ATOM 1971 CD2 LEU A 120 9.699 12.566 -0.412 1.00 0.00 C ATOM 0 H LEU A 120 9.627 11.396 -3.639 1.00 0.00 H new ATOM 0 HA LEU A 120 6.942 12.259 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 120 9.560 13.786 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.994 14.565 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 120 8.621 14.404 -0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 120 7.234 12.688 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.386 13.494 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.057 11.861 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.683 12.423 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 120 9.631 11.597 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.630 13.056 -0.699 1.00 0.00 H new ATOM 1983 N LEU A 121 6.751 13.842 -4.838 1.00 0.00 N ATOM 1984 CA LEU A 121 6.501 14.389 -6.169 1.00 0.00 C ATOM 1985 C LEU A 121 5.598 15.619 -6.096 1.00 0.00 C ATOM 1986 O LEU A 121 4.728 15.697 -5.231 1.00 0.00 O ATOM 1987 CB LEU A 121 5.869 13.326 -7.074 1.00 0.00 C ATOM 1988 CG LEU A 121 6.847 12.290 -7.632 1.00 0.00 C ATOM 1989 CD1 LEU A 121 6.703 10.962 -6.901 1.00 0.00 C ATOM 1990 CD2 LEU A 121 6.627 12.105 -9.125 1.00 0.00 C ATOM 0 H LEU A 121 6.095 14.156 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 121 7.459 14.692 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.093 12.806 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.377 13.826 -7.908 1.00 0.00 H new ATOM 0 HG LEU A 121 7.861 12.656 -7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 121 7.408 10.241 -7.314 1.00 0.00 H new ATOM 0 HD12 LEU A 121 6.911 11.106 -5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 121 5.687 10.587 -7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 121 7.330 11.365 -9.507 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.608 11.763 -9.303 1.00 0.00 H new ATOM 0 HD23 LEU A 121 6.785 13.054 -9.637 1.00 0.00 H new ATOM 2002 N LYS A 122 5.820 16.587 -6.996 1.00 0.00 N ATOM 2003 CA LYS A 122 5.019 17.822 -7.021 1.00 0.00 C ATOM 2004 C LYS A 122 4.224 17.948 -8.323 1.00 0.00 C ATOM 2005 O LYS A 122 4.705 17.571 -9.391 1.00 0.00 O ATOM 2006 CB LYS A 122 5.917 19.053 -6.854 1.00 0.00 C ATOM 2007 CG LYS A 122 5.215 20.238 -6.204 1.00 0.00 C ATOM 2008 CD LYS A 122 4.713 21.228 -7.244 1.00 0.00 C ATOM 2009 CE LYS A 122 5.550 22.498 -7.269 1.00 0.00 C ATOM 2010 NZ LYS A 122 6.315 22.631 -8.540 1.00 0.00 N ATOM 0 H LYS A 122 6.543 16.541 -7.714 1.00 0.00 H new ATOM 0 HA LYS A 122 4.318 17.769 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 122 6.784 18.781 -6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 122 6.290 19.355 -7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.377 19.882 -5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.902 20.741 -5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.732 20.761 -8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.674 21.482 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.900 23.364 -7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.242 22.494 -6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.873 23.508 -8.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.953 21.817 -8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.653 22.660 -9.342 1.00 0.00 H new ATOM 2024 N CYS A 123 3.007 18.490 -8.224 1.00 0.00 N ATOM 2025 CA CYS A 123 2.148 18.676 -9.393 1.00 0.00 C ATOM 2026 C CYS A 123 1.334 19.967 -9.278 1.00 0.00 C ATOM 2027 O CYS A 123 0.109 19.943 -9.388 1.00 0.00 O ATOM 2028 CB CYS A 123 1.208 17.480 -9.545 1.00 0.00 C ATOM 2029 SG CYS A 123 1.886 16.127 -10.538 1.00 0.00 S ATOM 0 H CYS A 123 2.596 18.807 -7.346 1.00 0.00 H new ATOM 0 HA CYS A 123 2.784 18.751 -10.275 1.00 0.00 H new ATOM 0 HB2 CYS A 123 0.959 17.100 -8.554 1.00 0.00 H new ATOM 0 HB3 CYS A 123 0.277 17.819 -10.000 1.00 0.00 H new ATOM 0 HG CYS A 123 1.145 15.948 -11.591 1.00 0.00 H new ATOM 2034 N GLU A 124 2.007 21.091 -9.049 1.00 0.00 N ATOM 2035 CA GLU A 124 1.316 22.371 -8.915 1.00 0.00 C ATOM 2036 C GLU A 124 0.471 22.675 -10.148 1.00 0.00 C ATOM 2037 O GLU A 124 -0.549 23.358 -10.061 1.00 0.00 O ATOM 2038 CB GLU A 124 2.313 23.505 -8.671 1.00 0.00 C ATOM 2039 CG GLU A 124 1.696 24.706 -7.972 1.00 0.00 C ATOM 2040 CD GLU A 124 2.165 24.864 -6.539 1.00 0.00 C ATOM 2041 OE1 GLU A 124 3.391 24.843 -6.308 1.00 0.00 O ATOM 2042 OE2 GLU A 124 1.303 25.011 -5.646 1.00 0.00 O ATOM 0 H GLU A 124 3.021 21.143 -8.953 1.00 0.00 H new ATOM 0 HA GLU A 124 0.652 22.296 -8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 124 3.141 23.129 -8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 124 2.731 23.824 -9.626 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.941 25.610 -8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 124 0.610 24.608 -7.984 1.00 0.00 H new ATOM 2049 N ALA A 125 0.897 22.157 -11.295 1.00 0.00 N ATOM 2050 CA ALA A 125 0.173 22.372 -12.542 1.00 0.00 C ATOM 2051 C ALA A 125 -1.191 21.689 -12.509 1.00 0.00 C ATOM 2052 O ALA A 125 -2.222 22.350 -12.389 1.00 0.00 O ATOM 2053 CB ALA A 125 0.988 21.867 -13.722 1.00 0.00 C ATOM 0 H ALA A 125 1.738 21.587 -11.387 1.00 0.00 H new ATOM 0 HA ALA A 125 0.013 23.444 -12.659 1.00 0.00 H new ATOM 0 HB1 ALA A 125 0.434 22.035 -14.645 1.00 0.00 H new ATOM 0 HB2 ALA A 125 1.936 22.403 -13.765 1.00 0.00 H new ATOM 0 HB3 ALA A 125 1.179 20.801 -13.602 1.00 0.00 H new ATOM 2059 N CYS A 126 -1.193 20.361 -12.615 1.00 0.00 N ATOM 2060 CA CYS A 126 -2.437 19.590 -12.598 1.00 0.00 C ATOM 2061 C CYS A 126 -2.954 19.386 -11.171 1.00 0.00 C ATOM 2062 O CYS A 126 -3.410 18.298 -10.817 1.00 0.00 O ATOM 2063 CB CYS A 126 -2.231 18.232 -13.279 1.00 0.00 C ATOM 2064 SG CYS A 126 -1.296 17.035 -12.299 1.00 0.00 S ATOM 0 H CYS A 126 -0.349 19.797 -12.713 1.00 0.00 H new ATOM 0 HA CYS A 126 -3.185 20.160 -13.149 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -3.206 17.806 -13.515 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -1.715 18.389 -14.226 1.00 0.00 H new ATOM 0 HG CYS A 126 -1.767 17.004 -11.088 1.00 0.00 H new ATOM 2069 N GLY A 127 -2.884 20.432 -10.355 1.00 0.00 N ATOM 2070 CA GLY A 127 -3.347 20.332 -8.985 1.00 0.00 C ATOM 2071 C GLY A 127 -2.248 20.627 -7.988 1.00 0.00 C ATOM 2072 O GLY A 127 -1.628 21.689 -8.034 1.00 0.00 O ATOM 0 H GLY A 127 -2.515 21.346 -10.618 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -4.172 21.027 -8.830 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -3.737 19.330 -8.807 1.00 0.00 H new ATOM 2076 N ALA A 128 -2.002 19.684 -7.087 1.00 0.00 N ATOM 2077 CA ALA A 128 -0.964 19.849 -6.081 1.00 0.00 C ATOM 2078 C ALA A 128 -0.416 18.503 -5.629 1.00 0.00 C ATOM 2079 O ALA A 128 -1.118 17.493 -5.648 1.00 0.00 O ATOM 2080 CB ALA A 128 -1.487 20.640 -4.894 1.00 0.00 C ATOM 0 H ALA A 128 -2.507 18.799 -7.033 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.146 20.409 -6.535 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.695 20.752 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.813 21.625 -5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.329 20.112 -4.447 1.00 0.00 H new ATOM 2086 N LYS A 129 0.844 18.504 -5.225 1.00 0.00 N ATOM 2087 CA LYS A 129 1.509 17.294 -4.766 1.00 0.00 C ATOM 2088 C LYS A 129 2.622 17.657 -3.781 1.00 0.00 C ATOM 2089 O LYS A 129 3.115 18.784 -3.794 1.00 0.00 O ATOM 2090 CB LYS A 129 2.056 16.501 -5.957 1.00 0.00 C ATOM 2091 CG LYS A 129 1.490 15.090 -6.062 1.00 0.00 C ATOM 2092 CD LYS A 129 0.734 14.867 -7.365 1.00 0.00 C ATOM 2093 CE LYS A 129 -0.441 13.921 -7.174 1.00 0.00 C ATOM 2094 NZ LYS A 129 -1.746 14.606 -7.394 1.00 0.00 N ATOM 0 H LYS A 129 1.432 19.337 -5.206 1.00 0.00 H new ATOM 0 HA LYS A 129 0.788 16.660 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 129 1.833 17.042 -6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.141 16.443 -5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.303 14.368 -5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 129 0.822 14.905 -5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.374 15.823 -7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 129 1.412 14.460 -8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -0.349 13.084 -7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -0.414 13.507 -6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -2.487 14.127 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -1.674 15.597 -7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -1.989 14.573 -8.405 1.00 0.00 H new ATOM 2108 N ALA A 130 2.986 16.726 -2.903 1.00 0.00 N ATOM 2109 CA ALA A 130 4.018 16.992 -1.900 1.00 0.00 C ATOM 2110 C ALA A 130 5.411 16.553 -2.364 1.00 0.00 C ATOM 2111 O ALA A 130 5.749 15.371 -2.295 1.00 0.00 O ATOM 2112 CB ALA A 130 3.665 16.305 -0.590 1.00 0.00 C ATOM 0 H ALA A 130 2.587 15.788 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 130 4.051 18.071 -1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.440 16.510 0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 130 2.709 16.683 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.593 15.229 -0.751 1.00 0.00 H new ATOM 2118 N PRO A 131 6.246 17.505 -2.830 1.00 0.00 N ATOM 2119 CA PRO A 131 7.609 17.207 -3.288 1.00 0.00 C ATOM 2120 C PRO A 131 8.551 16.851 -2.142 1.00 0.00 C ATOM 2121 O PRO A 131 9.673 16.398 -2.370 1.00 0.00 O ATOM 2122 CB PRO A 131 8.061 18.509 -3.951 1.00 0.00 C ATOM 2123 CG PRO A 131 7.239 19.576 -3.314 1.00 0.00 C ATOM 2124 CD PRO A 131 5.929 18.942 -2.938 1.00 0.00 C ATOM 0 HA PRO A 131 7.625 16.342 -3.951 1.00 0.00 H new ATOM 0 HB2 PRO A 131 9.125 18.684 -3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 131 7.901 18.479 -5.029 1.00 0.00 H new ATOM 0 HG2 PRO A 131 7.741 19.979 -2.434 1.00 0.00 H new ATOM 0 HG3 PRO A 131 7.084 20.408 -4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 131 5.549 19.339 -1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 131 5.165 19.127 -3.693 1.00 0.00 H new