USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 248 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 62 THR OG1 : rot 114:sc= -1.38! USER MOD Set 1.2: A 73 GLN : amide:sc= -0.448 X(o=-1.8,f=-1.4) USER MOD Single : A 58 THR OG1 : rot 37:sc= 0.175 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.3) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -2.22 K(o=-2.2,f=-3.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= -3.6! USER MOD Single : A 74 SER OG : rot -30:sc= 0.645 USER MOD Single : A 100 TYR OH : rot 180:sc= -0.0551 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -15.870 -2.135 -11.531 1.00 0.00 N ATOM 592 CA THR A 58 -15.285 -2.712 -12.730 1.00 0.00 C ATOM 593 C THR A 58 -14.058 -1.908 -13.163 1.00 0.00 C ATOM 594 O THR A 58 -13.781 -1.786 -14.355 1.00 0.00 O ATOM 595 CB THR A 58 -16.375 -2.783 -13.801 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.319 -3.712 -13.275 1.00 0.00 O ATOM 597 CG2 THR A 58 -15.885 -3.439 -15.093 1.00 0.00 C ATOM 0 HA THR A 58 -14.924 -3.724 -12.547 1.00 0.00 H new ATOM 0 HB THR A 58 -16.735 -1.778 -14.019 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.391 -3.592 -12.305 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.697 -3.464 -15.819 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.052 -2.865 -15.500 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.555 -4.456 -14.882 1.00 0.00 H new ATOM 605 N TYR A 59 -13.355 -1.380 -12.172 1.00 0.00 N ATOM 606 CA TYR A 59 -12.163 -0.591 -12.436 1.00 0.00 C ATOM 607 C TYR A 59 -11.434 -0.249 -11.136 1.00 0.00 C ATOM 608 O TYR A 59 -12.066 -0.008 -10.109 1.00 0.00 O ATOM 609 CB TYR A 59 -12.652 0.703 -13.089 1.00 0.00 C ATOM 610 CG TYR A 59 -11.527 1.660 -13.491 1.00 0.00 C ATOM 611 CD1 TYR A 59 -10.772 1.402 -14.617 1.00 0.00 C ATOM 612 CD2 TYR A 59 -11.269 2.781 -12.728 1.00 0.00 C ATOM 613 CE1 TYR A 59 -9.712 2.302 -14.995 1.00 0.00 C ATOM 614 CE2 TYR A 59 -10.210 3.680 -13.106 1.00 0.00 C ATOM 615 CZ TYR A 59 -9.484 3.397 -14.221 1.00 0.00 C ATOM 616 OH TYR A 59 -8.485 4.247 -14.579 1.00 0.00 O ATOM 0 H TYR A 59 -13.588 -1.483 -11.184 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.469 -1.143 -13.070 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -13.236 0.453 -13.974 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.322 1.216 -12.399 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.976 0.526 -15.215 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.861 2.984 -11.848 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.112 2.111 -15.873 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.997 4.560 -12.517 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.376 4.232 -15.553 1.00 0.00 H new ATOM 625 N CYS A 60 -10.112 -0.239 -11.223 1.00 0.00 N ATOM 626 CA CYS A 60 -9.289 0.070 -10.065 1.00 0.00 C ATOM 627 C CYS A 60 -9.362 1.577 -9.811 1.00 0.00 C ATOM 628 O CYS A 60 -9.192 2.375 -10.732 1.00 0.00 O ATOM 629 CB CYS A 60 -7.846 -0.407 -10.253 1.00 0.00 C ATOM 630 SG CYS A 60 -7.678 -2.052 -11.036 1.00 0.00 S ATOM 0 H CYS A 60 -9.590 -0.440 -12.076 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.669 -0.463 -9.194 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.312 0.325 -10.859 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.357 -0.432 -9.279 1.00 0.00 H new ATOM 634 N ASN A 61 -9.617 1.922 -8.558 1.00 0.00 N ATOM 635 CA ASN A 61 -9.716 3.319 -8.171 1.00 0.00 C ATOM 636 C ASN A 61 -8.563 3.665 -7.226 1.00 0.00 C ATOM 637 O ASN A 61 -7.914 2.773 -6.682 1.00 0.00 O ATOM 638 CB ASN A 61 -11.029 3.595 -7.436 1.00 0.00 C ATOM 639 CG ASN A 61 -11.255 5.099 -7.263 1.00 0.00 C ATOM 640 OD1 ASN A 61 -10.997 5.675 -6.217 1.00 0.00 O ATOM 641 ND2 ASN A 61 -11.748 5.700 -8.340 1.00 0.00 N ATOM 0 H ASN A 61 -9.758 1.258 -7.797 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.676 3.924 -9.077 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.860 3.160 -7.992 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.012 3.111 -6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.933 6.703 -8.324 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.941 5.159 -9.183 1.00 0.00 H new ATOM 647 N THR A 62 -8.346 4.961 -7.060 1.00 0.00 N ATOM 648 CA THR A 62 -7.283 5.436 -6.190 1.00 0.00 C ATOM 649 C THR A 62 -7.624 5.148 -4.726 1.00 0.00 C ATOM 650 O THR A 62 -8.617 5.653 -4.206 1.00 0.00 O ATOM 651 CB THR A 62 -7.061 6.921 -6.483 1.00 0.00 C ATOM 652 OG1 THR A 62 -6.625 6.947 -7.839 1.00 0.00 O ATOM 653 CG2 THR A 62 -5.882 7.502 -5.701 1.00 0.00 C ATOM 0 H THR A 62 -8.888 5.697 -7.513 1.00 0.00 H new ATOM 0 HA THR A 62 -6.348 4.909 -6.382 1.00 0.00 H new ATOM 0 HB THR A 62 -7.967 7.477 -6.241 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.300 7.395 -8.391 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.768 8.558 -5.946 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.066 7.395 -4.632 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.970 6.968 -5.967 1.00 0.00 H new ATOM 661 N THR A 63 -6.778 4.341 -4.104 1.00 0.00 N ATOM 662 CA THR A 63 -6.977 3.980 -2.710 1.00 0.00 C ATOM 663 C THR A 63 -5.632 3.724 -2.028 1.00 0.00 C ATOM 664 O THR A 63 -4.636 3.446 -2.695 1.00 0.00 O ATOM 665 CB THR A 63 -7.920 2.776 -2.663 1.00 0.00 C ATOM 666 OG1 THR A 63 -9.106 3.288 -2.059 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.443 1.696 -1.690 1.00 0.00 C ATOM 0 H THR A 63 -5.954 3.927 -4.539 1.00 0.00 H new ATOM 0 HA THR A 63 -7.439 4.795 -2.153 1.00 0.00 H new ATOM 0 HB THR A 63 -8.014 2.349 -3.661 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.773 2.573 -1.991 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.148 0.865 -1.695 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.459 1.340 -1.996 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.382 2.113 -0.685 1.00 0.00 H new ATOM 675 N LEU A 64 -5.644 3.829 -0.708 1.00 0.00 N ATOM 676 CA LEU A 64 -4.437 3.612 0.072 1.00 0.00 C ATOM 677 C LEU A 64 -4.736 2.627 1.205 1.00 0.00 C ATOM 678 O LEU A 64 -5.570 2.902 2.065 1.00 0.00 O ATOM 679 CB LEU A 64 -3.864 4.946 0.553 1.00 0.00 C ATOM 680 CG LEU A 64 -4.849 5.890 1.247 1.00 0.00 C ATOM 681 CD1 LEU A 64 -4.721 5.795 2.768 1.00 0.00 C ATOM 682 CD2 LEU A 64 -4.680 7.325 0.746 1.00 0.00 C ATOM 0 H LEU A 64 -6.471 4.062 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.660 3.161 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.044 4.739 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.437 5.466 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.861 5.577 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.432 6.476 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.931 4.774 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.708 6.067 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.392 7.974 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.666 7.666 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.862 7.359 -0.328 1.00 0.00 H new ATOM 693 N ASP A 65 -4.039 1.502 1.166 1.00 0.00 N ATOM 694 CA ASP A 65 -4.219 0.475 2.178 1.00 0.00 C ATOM 695 C ASP A 65 -3.199 0.685 3.299 1.00 0.00 C ATOM 696 O ASP A 65 -2.752 1.806 3.534 1.00 0.00 O ATOM 697 CB ASP A 65 -3.997 -0.921 1.592 1.00 0.00 C ATOM 698 CG ASP A 65 -4.937 -2.004 2.126 1.00 0.00 C ATOM 699 OD1 ASP A 65 -5.580 -1.735 3.164 1.00 0.00 O ATOM 700 OD2 ASP A 65 -4.990 -3.075 1.485 1.00 0.00 O ATOM 0 H ASP A 65 -3.348 1.279 0.450 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.239 0.549 2.556 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.109 -0.866 0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.969 -1.223 1.791 1.00 0.00 H new ATOM 704 N GLN A 66 -2.861 -0.412 3.961 1.00 0.00 N ATOM 705 CA GLN A 66 -1.902 -0.362 5.051 1.00 0.00 C ATOM 706 C GLN A 66 -0.667 0.438 4.636 1.00 0.00 C ATOM 707 O GLN A 66 0.054 0.960 5.484 1.00 0.00 O ATOM 708 CB GLN A 66 -1.516 -1.770 5.507 1.00 0.00 C ATOM 709 CG GLN A 66 -0.948 -2.587 4.344 1.00 0.00 C ATOM 710 CD GLN A 66 0.569 -2.736 4.468 1.00 0.00 C ATOM 711 OE1 GLN A 66 1.245 -1.953 5.115 1.00 0.00 O ATOM 712 NE2 GLN A 66 1.065 -3.783 3.815 1.00 0.00 N ATOM 0 H GLN A 66 -3.234 -1.340 3.763 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.369 0.142 5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.778 -1.708 6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.390 -2.275 5.918 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.413 -3.572 4.326 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.193 -2.101 3.400 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.443 -4.399 3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.068 -3.970 3.837 1.00 0.00 H new ATOM 719 N ILE A 67 -0.460 0.510 3.329 1.00 0.00 N ATOM 720 CA ILE A 67 0.677 1.238 2.790 1.00 0.00 C ATOM 721 C ILE A 67 0.234 2.650 2.401 1.00 0.00 C ATOM 722 O ILE A 67 -0.419 2.839 1.376 1.00 0.00 O ATOM 723 CB ILE A 67 1.318 0.456 1.642 1.00 0.00 C ATOM 724 CG1 ILE A 67 2.337 -0.556 2.169 1.00 0.00 C ATOM 725 CG2 ILE A 67 1.932 1.403 0.609 1.00 0.00 C ATOM 726 CD1 ILE A 67 3.574 0.153 2.727 1.00 0.00 C ATOM 0 H ILE A 67 -1.060 0.076 2.628 1.00 0.00 H new ATOM 0 HA ILE A 67 1.455 1.344 3.546 1.00 0.00 H new ATOM 0 HB ILE A 67 0.536 -0.109 1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.880 -1.166 2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.632 -1.233 1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.381 0.821 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.155 2.049 0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.698 2.014 1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.283 -0.588 3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.042 0.743 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.279 0.810 3.545 1.00 0.00 H new ATOM 737 N GLY A 68 0.608 3.605 3.239 1.00 0.00 N ATOM 738 CA GLY A 68 0.258 4.994 2.995 1.00 0.00 C ATOM 739 C GLY A 68 0.244 5.301 1.497 1.00 0.00 C ATOM 740 O GLY A 68 -0.714 5.881 0.987 1.00 0.00 O ATOM 0 H GLY A 68 1.150 3.445 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.722 5.206 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.973 5.646 3.497 1.00 0.00 H new ATOM 744 N THR A 69 1.318 4.899 0.832 1.00 0.00 N ATOM 745 CA THR A 69 1.441 5.124 -0.598 1.00 0.00 C ATOM 746 C THR A 69 0.091 4.915 -1.289 1.00 0.00 C ATOM 747 O THR A 69 -0.411 3.794 -1.352 1.00 0.00 O ATOM 748 CB THR A 69 2.543 4.205 -1.128 1.00 0.00 C ATOM 749 OG1 THR A 69 3.673 5.063 -1.267 1.00 0.00 O ATOM 750 CG2 THR A 69 2.267 3.719 -2.552 1.00 0.00 C ATOM 0 H THR A 69 2.111 4.419 1.258 1.00 0.00 H new ATOM 0 HA THR A 69 1.725 6.154 -0.813 1.00 0.00 H new ATOM 0 HB THR A 69 2.648 3.346 -0.466 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.435 4.548 -1.605 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.080 3.071 -2.879 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.329 3.164 -2.572 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.195 4.576 -3.221 1.00 0.00 H new ATOM 758 N CYS A 70 -0.457 6.012 -1.790 1.00 0.00 N ATOM 759 CA CYS A 70 -1.738 5.964 -2.473 1.00 0.00 C ATOM 760 C CYS A 70 -1.481 5.697 -3.957 1.00 0.00 C ATOM 761 O CYS A 70 -0.760 6.450 -4.611 1.00 0.00 O ATOM 762 CB CYS A 70 -2.545 7.245 -2.256 1.00 0.00 C ATOM 763 SG CYS A 70 -3.708 7.659 -3.606 1.00 0.00 S ATOM 0 H CYS A 70 -0.037 6.940 -1.736 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.343 5.158 -2.058 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -3.108 7.150 -1.327 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.852 8.076 -2.125 1.00 0.00 H new ATOM 0 HG CYS A 70 -4.337 8.759 -3.315 1.00 0.00 H new ATOM 767 N TRP A 71 -2.083 4.622 -4.446 1.00 0.00 N ATOM 768 CA TRP A 71 -1.928 4.247 -5.841 1.00 0.00 C ATOM 769 C TRP A 71 -3.074 4.882 -6.632 1.00 0.00 C ATOM 770 O TRP A 71 -4.204 4.947 -6.150 1.00 0.00 O ATOM 771 CB TRP A 71 -1.866 2.725 -5.996 1.00 0.00 C ATOM 772 CG TRP A 71 -0.807 2.053 -5.121 1.00 0.00 C ATOM 773 CD1 TRP A 71 -0.926 1.642 -3.851 1.00 0.00 C ATOM 774 CD2 TRP A 71 0.547 1.732 -5.504 1.00 0.00 C ATOM 775 NE1 TRP A 71 0.248 1.078 -3.390 1.00 0.00 N ATOM 776 CE2 TRP A 71 1.171 1.136 -4.427 1.00 0.00 C ATOM 777 CE3 TRP A 71 1.221 1.936 -6.721 1.00 0.00 C ATOM 778 CZ2 TRP A 71 2.500 0.695 -4.458 1.00 0.00 C ATOM 779 CZ3 TRP A 71 2.549 1.491 -6.736 1.00 0.00 C ATOM 780 CH2 TRP A 71 3.192 0.889 -5.661 1.00 0.00 C ATOM 0 H TRP A 71 -2.679 3.999 -3.901 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.983 4.619 -6.238 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -2.842 2.305 -5.754 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.666 2.484 -7.040 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.826 1.739 -3.262 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.408 0.691 -2.460 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.752 2.399 -7.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.966 0.231 -3.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 3.113 1.625 -7.647 1.00 0.00 H new ATOM 0 HH2 TRP A 71 4.220 0.572 -5.752 1.00 0.00 H new ATOM 790 N PRO A 72 -2.733 5.345 -7.864 1.00 0.00 N ATOM 791 CA PRO A 72 -3.721 5.973 -8.726 1.00 0.00 C ATOM 792 C PRO A 72 -4.656 4.929 -9.339 1.00 0.00 C ATOM 793 O PRO A 72 -4.258 3.787 -9.561 1.00 0.00 O ATOM 794 CB PRO A 72 -2.911 6.728 -9.767 1.00 0.00 C ATOM 795 CG PRO A 72 -1.517 6.121 -9.731 1.00 0.00 C ATOM 796 CD PRO A 72 -1.406 5.284 -8.467 1.00 0.00 C ATOM 0 HA PRO A 72 -4.381 6.651 -8.185 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.356 6.626 -10.757 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.879 7.794 -9.540 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.346 5.504 -10.613 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.759 6.904 -9.738 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.122 4.257 -8.696 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.647 5.682 -7.794 1.00 0.00 H new ATOM 801 N GLN A 73 -5.884 5.358 -9.595 1.00 0.00 N ATOM 802 CA GLN A 73 -6.879 4.475 -10.177 1.00 0.00 C ATOM 803 C GLN A 73 -6.308 3.770 -11.410 1.00 0.00 C ATOM 804 O GLN A 73 -5.288 4.192 -11.954 1.00 0.00 O ATOM 805 CB GLN A 73 -8.156 5.243 -10.528 1.00 0.00 C ATOM 806 CG GLN A 73 -7.901 6.246 -11.655 1.00 0.00 C ATOM 807 CD GLN A 73 -7.918 7.681 -11.125 1.00 0.00 C ATOM 808 OE1 GLN A 73 -8.948 8.332 -11.054 1.00 0.00 O ATOM 809 NE2 GLN A 73 -6.723 8.137 -10.758 1.00 0.00 N ATOM 0 H GLN A 73 -6.212 6.306 -9.410 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.140 3.718 -9.438 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.935 4.542 -10.829 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.523 5.767 -9.646 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.938 6.038 -12.121 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.661 6.131 -12.428 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.901 7.539 -10.844 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.629 9.084 -10.391 1.00 0.00 H new ATOM 816 N SER A 74 -6.990 2.709 -11.815 1.00 0.00 N ATOM 817 CA SER A 74 -6.563 1.941 -12.972 1.00 0.00 C ATOM 818 C SER A 74 -7.688 1.008 -13.426 1.00 0.00 C ATOM 819 O SER A 74 -8.795 1.060 -12.892 1.00 0.00 O ATOM 820 CB SER A 74 -5.297 1.138 -12.665 1.00 0.00 C ATOM 821 OG SER A 74 -4.263 1.957 -12.127 1.00 0.00 O ATOM 0 H SER A 74 -7.836 2.363 -11.362 1.00 0.00 H new ATOM 0 HA SER A 74 -6.331 2.638 -13.778 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.534 0.343 -11.958 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.942 0.658 -13.577 1.00 0.00 H new ATOM 0 HG SER A 74 -4.343 2.864 -12.488 1.00 0.00 H new ATOM 826 N ALA A 75 -7.364 0.178 -14.406 1.00 0.00 N ATOM 827 CA ALA A 75 -8.334 -0.766 -14.937 1.00 0.00 C ATOM 828 C ALA A 75 -8.061 -2.154 -14.354 1.00 0.00 C ATOM 829 O ALA A 75 -7.021 -2.378 -13.735 1.00 0.00 O ATOM 830 CB ALA A 75 -8.274 -0.753 -16.465 1.00 0.00 C ATOM 0 H ALA A 75 -6.445 0.139 -14.846 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.346 -0.481 -14.648 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.001 -1.461 -16.864 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.504 0.248 -16.830 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.274 -1.037 -16.792 1.00 0.00 H new ATOM 836 N PRO A 76 -9.036 -3.074 -14.580 1.00 0.00 N ATOM 837 CA PRO A 76 -8.911 -4.434 -14.084 1.00 0.00 C ATOM 838 C PRO A 76 -7.914 -5.234 -14.925 1.00 0.00 C ATOM 839 O PRO A 76 -7.792 -5.012 -16.129 1.00 0.00 O ATOM 840 CB PRO A 76 -10.319 -5.002 -14.133 1.00 0.00 C ATOM 841 CG PRO A 76 -11.098 -4.106 -15.083 1.00 0.00 C ATOM 842 CD PRO A 76 -10.280 -2.845 -15.309 1.00 0.00 C ATOM 0 HA PRO A 76 -8.514 -4.477 -13.070 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.312 -6.033 -14.486 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.772 -5.008 -13.142 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.280 -4.618 -16.028 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.073 -3.859 -14.662 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.092 -2.680 -16.370 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.801 -1.963 -14.936 1.00 0.00 H new ATOM 847 N GLY A 77 -7.226 -6.150 -14.258 1.00 0.00 N ATOM 848 CA GLY A 77 -6.243 -6.983 -14.929 1.00 0.00 C ATOM 849 C GLY A 77 -5.074 -6.145 -15.448 1.00 0.00 C ATOM 850 O GLY A 77 -4.453 -6.491 -16.451 1.00 0.00 O ATOM 0 H GLY A 77 -7.330 -6.333 -13.260 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.873 -7.741 -14.239 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.714 -7.510 -15.759 1.00 0.00 H new ATOM 854 N ALA A 78 -4.808 -5.056 -14.740 1.00 0.00 N ATOM 855 CA ALA A 78 -3.725 -4.165 -15.116 1.00 0.00 C ATOM 856 C ALA A 78 -2.388 -4.800 -14.724 1.00 0.00 C ATOM 857 O ALA A 78 -2.255 -6.023 -14.724 1.00 0.00 O ATOM 858 CB ALA A 78 -3.935 -2.798 -14.460 1.00 0.00 C ATOM 0 H ALA A 78 -5.325 -4.771 -13.908 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.714 -4.010 -16.195 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.122 -2.130 -14.743 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.883 -2.376 -14.793 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.950 -2.913 -13.376 1.00 0.00 H new ATOM 864 N LEU A 79 -1.434 -3.939 -14.400 1.00 0.00 N ATOM 865 CA LEU A 79 -0.113 -4.401 -14.007 1.00 0.00 C ATOM 866 C LEU A 79 0.707 -3.215 -13.497 1.00 0.00 C ATOM 867 O LEU A 79 1.481 -2.623 -14.248 1.00 0.00 O ATOM 868 CB LEU A 79 0.553 -5.161 -15.156 1.00 0.00 C ATOM 869 CG LEU A 79 1.124 -6.537 -14.809 1.00 0.00 C ATOM 870 CD1 LEU A 79 2.020 -6.463 -13.572 1.00 0.00 C ATOM 871 CD2 LEU A 79 0.006 -7.569 -14.645 1.00 0.00 C ATOM 0 H LEU A 79 -1.549 -2.926 -14.402 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.188 -5.114 -13.186 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.178 -5.284 -15.955 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.360 -4.545 -15.553 1.00 0.00 H new ATOM 0 HG LEU A 79 1.748 -6.867 -15.640 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.413 -7.455 -13.347 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.848 -5.780 -13.762 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.439 -6.102 -12.723 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.439 -8.538 -14.399 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.663 -7.256 -13.843 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.555 -7.648 -15.576 1.00 0.00 H new ATOM 882 N VAL A 80 0.508 -2.902 -12.225 1.00 0.00 N ATOM 883 CA VAL A 80 1.219 -1.796 -11.606 1.00 0.00 C ATOM 884 C VAL A 80 2.389 -2.343 -10.787 1.00 0.00 C ATOM 885 O VAL A 80 2.455 -2.134 -9.576 1.00 0.00 O ATOM 886 CB VAL A 80 0.251 -0.950 -10.776 1.00 0.00 C ATOM 887 CG1 VAL A 80 1.009 0.028 -9.877 1.00 0.00 C ATOM 888 CG2 VAL A 80 -0.741 -0.211 -11.676 1.00 0.00 C ATOM 0 H VAL A 80 -0.136 -3.395 -11.606 1.00 0.00 H new ATOM 0 HA VAL A 80 1.635 -1.136 -12.367 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.316 -1.624 -10.134 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.297 0.617 -9.298 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.656 -0.528 -9.199 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.615 0.693 -10.492 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.418 0.383 -11.061 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.197 0.446 -12.355 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.316 -0.934 -12.254 1.00 0.00 H new ATOM 898 N GLU A 81 3.284 -3.031 -11.479 1.00 0.00 N ATOM 899 CA GLU A 81 4.448 -3.609 -10.831 1.00 0.00 C ATOM 900 C GLU A 81 5.651 -2.672 -10.962 1.00 0.00 C ATOM 901 O GLU A 81 5.915 -2.144 -12.041 1.00 0.00 O ATOM 902 CB GLU A 81 4.767 -4.991 -11.404 1.00 0.00 C ATOM 903 CG GLU A 81 5.081 -4.905 -12.899 1.00 0.00 C ATOM 904 CD GLU A 81 6.523 -5.333 -13.182 1.00 0.00 C ATOM 905 OE1 GLU A 81 7.422 -4.506 -12.919 1.00 0.00 O ATOM 906 OE2 GLU A 81 6.693 -6.477 -13.655 1.00 0.00 O ATOM 0 H GLU A 81 3.226 -3.201 -12.483 1.00 0.00 H new ATOM 0 HA GLU A 81 4.222 -3.734 -9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.617 -5.421 -10.874 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.921 -5.659 -11.244 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.393 -5.541 -13.456 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.925 -3.884 -13.249 1.00 0.00 H new ATOM 911 N ARG A 82 6.346 -2.493 -9.849 1.00 0.00 N ATOM 912 CA ARG A 82 7.513 -1.628 -9.826 1.00 0.00 C ATOM 913 C ARG A 82 8.440 -2.016 -8.672 1.00 0.00 C ATOM 914 O ARG A 82 8.671 -1.221 -7.763 1.00 0.00 O ATOM 915 CB ARG A 82 7.109 -0.160 -9.675 1.00 0.00 C ATOM 916 CG ARG A 82 6.114 0.019 -8.525 1.00 0.00 C ATOM 917 CD ARG A 82 5.575 1.450 -8.484 1.00 0.00 C ATOM 918 NE ARG A 82 4.512 1.620 -9.500 1.00 0.00 N ATOM 919 CZ ARG A 82 4.005 2.805 -9.865 1.00 0.00 C ATOM 920 NH1 ARG A 82 4.459 3.932 -9.299 1.00 0.00 N ATOM 921 NH2 ARG A 82 3.042 2.863 -10.795 1.00 0.00 N ATOM 0 H ARG A 82 6.123 -2.932 -8.956 1.00 0.00 H new ATOM 0 HA ARG A 82 8.036 -1.753 -10.774 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.995 0.448 -9.492 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.664 0.196 -10.604 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.287 -0.682 -8.642 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.600 -0.217 -7.579 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.180 1.670 -7.492 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.383 2.157 -8.670 1.00 0.00 H new ATOM 0 HE ARG A 82 4.143 0.783 -9.950 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.191 3.888 -8.590 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.073 4.834 -9.577 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.695 2.005 -11.224 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.655 3.765 -11.073 1.00 0.00 H new ATOM 1166 N ALA A 99 7.609 -1.335 -5.108 1.00 0.00 N ATOM 1167 CA ALA A 99 6.346 -1.883 -4.644 1.00 0.00 C ATOM 1168 C ALA A 99 5.477 -2.239 -5.852 1.00 0.00 C ATOM 1169 O ALA A 99 5.014 -1.355 -6.571 1.00 0.00 O ATOM 1170 CB ALA A 99 5.666 -0.880 -3.711 1.00 0.00 C ATOM 0 HA ALA A 99 6.510 -2.798 -4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.718 -1.291 -3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.312 -0.683 -2.856 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.482 0.050 -4.249 1.00 0.00 H new ATOM 1176 N TYR A 100 5.280 -3.537 -6.037 1.00 0.00 N ATOM 1177 CA TYR A 100 4.473 -4.020 -7.143 1.00 0.00 C ATOM 1178 C TYR A 100 3.072 -4.412 -6.672 1.00 0.00 C ATOM 1179 O TYR A 100 2.913 -4.987 -5.596 1.00 0.00 O ATOM 1180 CB TYR A 100 5.187 -5.266 -7.672 1.00 0.00 C ATOM 1181 CG TYR A 100 4.277 -6.488 -7.823 1.00 0.00 C ATOM 1182 CD1 TYR A 100 3.169 -6.425 -8.644 1.00 0.00 C ATOM 1183 CD2 TYR A 100 4.564 -7.651 -7.138 1.00 0.00 C ATOM 1184 CE1 TYR A 100 2.314 -7.575 -8.786 1.00 0.00 C ATOM 1185 CE2 TYR A 100 3.708 -8.800 -7.280 1.00 0.00 C ATOM 1186 CZ TYR A 100 2.625 -8.706 -8.097 1.00 0.00 C ATOM 1187 OH TYR A 100 1.816 -9.791 -8.231 1.00 0.00 O ATOM 0 H TYR A 100 5.666 -4.268 -5.439 1.00 0.00 H new ATOM 0 HA TYR A 100 4.362 -3.246 -7.903 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.631 -5.034 -8.640 1.00 0.00 H new ATOM 0 HB3 TYR A 100 6.006 -5.517 -6.998 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.944 -5.514 -9.179 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.431 -7.699 -6.495 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.445 -7.540 -9.426 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.921 -9.716 -6.749 1.00 0.00 H new ATOM 0 HH TYR A 100 2.161 -10.526 -7.682 1.00 0.00 H new ATOM 1196 N ARG A 101 2.090 -4.084 -7.499 1.00 0.00 N ATOM 1197 CA ARG A 101 0.707 -4.393 -7.180 1.00 0.00 C ATOM 1198 C ARG A 101 -0.088 -4.654 -8.461 1.00 0.00 C ATOM 1199 O ARG A 101 -0.142 -3.803 -9.347 1.00 0.00 O ATOM 1200 CB ARG A 101 0.050 -3.248 -6.406 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.308 -3.683 -4.982 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.749 -3.300 -4.639 1.00 0.00 C ATOM 1203 NE ARG A 101 -1.761 -2.086 -3.793 1.00 0.00 N ATOM 1204 CZ ARG A 101 -1.609 -2.096 -2.461 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -1.432 -3.257 -1.816 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -1.634 -0.946 -1.775 1.00 0.00 N ATOM 0 H ARG A 101 2.225 -3.607 -8.390 1.00 0.00 H new ATOM 0 HA ARG A 101 0.703 -5.287 -6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.726 -2.394 -6.370 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.850 -2.921 -6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.181 -4.761 -4.884 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.375 -3.216 -4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.314 -3.122 -5.554 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.238 -4.122 -4.117 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.893 -1.185 -4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.413 -4.133 -2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.316 -3.265 -0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -1.769 -0.062 -2.266 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.518 -0.954 -0.762 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.686 -5.835 -8.517 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.476 -6.220 -9.675 1.00 0.00 C ATOM 1219 C GLU A 102 -2.957 -5.931 -9.427 1.00 0.00 C ATOM 1220 O GLU A 102 -3.406 -5.909 -8.281 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.255 -7.693 -10.025 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.420 -8.580 -8.789 1.00 0.00 C ATOM 1223 CD GLU A 102 -2.059 -9.921 -9.158 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -1.365 -10.713 -9.832 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -3.224 -10.123 -8.758 1.00 0.00 O ATOM 0 H GLU A 102 -0.640 -6.538 -7.779 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.148 -5.626 -10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.965 -7.998 -10.794 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.257 -7.826 -10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.448 -8.751 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.038 -8.070 -8.050 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.677 -5.716 -10.518 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.099 -5.430 -10.433 1.00 0.00 C ATOM 1232 C CYS A 103 -5.864 -6.616 -11.025 1.00 0.00 C ATOM 1233 O CYS A 103 -5.660 -6.974 -12.183 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.454 -4.116 -11.131 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.068 -2.798 -10.020 1.00 0.00 S ATOM 0 H CYS A 103 -3.302 -5.734 -11.466 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.385 -5.299 -9.389 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.571 -3.749 -11.654 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.212 -4.316 -11.888 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.729 -7.191 -10.202 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.526 -8.328 -10.631 1.00 0.00 C ATOM 1241 C LEU A 104 -8.441 -7.901 -11.781 1.00 0.00 C ATOM 1242 O LEU A 104 -8.453 -6.733 -12.166 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.275 -8.935 -9.442 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.518 -10.002 -8.646 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -7.917 -9.970 -7.170 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -7.714 -11.387 -9.264 1.00 0.00 C ATOM 0 H LEU A 104 -6.895 -6.891 -9.241 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.883 -9.121 -11.013 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.550 -8.129 -8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.203 -9.374 -9.808 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.453 -9.775 -8.696 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.365 -10.737 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.684 -8.991 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.987 -10.159 -7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.166 -12.127 -8.680 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.775 -11.638 -9.265 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.341 -11.385 -10.288 1.00 0.00 H new ATOM 1257 N GLU A 105 -9.183 -8.870 -12.294 1.00 0.00 N ATOM 1258 CA GLU A 105 -10.099 -8.610 -13.393 1.00 0.00 C ATOM 1259 C GLU A 105 -11.435 -8.093 -12.857 1.00 0.00 C ATOM 1260 O GLU A 105 -12.360 -7.837 -13.627 1.00 0.00 O ATOM 1261 CB GLU A 105 -10.297 -9.861 -14.249 1.00 0.00 C ATOM 1262 CG GLU A 105 -10.121 -9.543 -15.735 1.00 0.00 C ATOM 1263 CD GLU A 105 -10.322 -10.794 -16.591 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -11.213 -11.593 -16.229 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -9.580 -10.924 -17.590 1.00 0.00 O ATOM 0 H GLU A 105 -9.169 -9.837 -11.970 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.664 -7.841 -14.031 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.581 -10.627 -13.950 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.293 -10.270 -14.077 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.835 -8.775 -16.033 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.125 -9.136 -15.908 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.495 -7.953 -11.540 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.704 -7.471 -10.894 1.00 0.00 C ATOM 1272 C ASN A 106 -12.558 -5.976 -10.600 1.00 0.00 C ATOM 1273 O ASN A 106 -13.470 -5.356 -10.056 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.943 -8.192 -9.567 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.289 -8.918 -9.571 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.241 -8.520 -8.920 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.316 -10.003 -10.340 1.00 0.00 N ATOM 0 H ASN A 106 -10.726 -8.165 -10.904 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.543 -7.660 -11.564 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.141 -8.908 -9.389 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.916 -7.473 -8.749 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.170 -10.557 -10.411 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.483 -10.281 -10.859 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.405 -5.441 -10.975 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.128 -4.031 -10.759 1.00 0.00 C ATOM 1285 C GLY A 107 -10.679 -3.776 -9.319 1.00 0.00 C ATOM 1286 O GLY A 107 -11.007 -2.742 -8.737 1.00 0.00 O ATOM 0 H GLY A 107 -10.652 -5.959 -11.427 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.353 -3.699 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.021 -3.444 -10.975 1.00 0.00 H new ATOM 1290 N THR A 108 -9.936 -4.734 -8.786 1.00 0.00 N ATOM 1291 CA THR A 108 -9.437 -4.625 -7.425 1.00 0.00 C ATOM 1292 C THR A 108 -7.907 -4.624 -7.415 1.00 0.00 C ATOM 1293 O THR A 108 -7.277 -4.921 -8.429 1.00 0.00 O ATOM 1294 CB THR A 108 -10.049 -5.763 -6.605 1.00 0.00 C ATOM 1295 OG1 THR A 108 -9.559 -6.945 -7.232 1.00 0.00 O ATOM 1296 CG2 THR A 108 -11.567 -5.854 -6.772 1.00 0.00 C ATOM 0 H THR A 108 -9.667 -5.590 -9.272 1.00 0.00 H new ATOM 0 HA THR A 108 -9.734 -3.680 -6.970 1.00 0.00 H new ATOM 0 HB THR A 108 -9.808 -5.622 -5.551 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.906 -7.732 -6.762 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.951 -6.677 -6.169 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.026 -4.921 -6.445 1.00 0.00 H new ATOM 0 HG23 THR A 108 -11.808 -6.029 -7.821 1.00 0.00 H new ATOM 1304 N TRP A 109 -7.355 -4.287 -6.259 1.00 0.00 N ATOM 1305 CA TRP A 109 -5.911 -4.243 -6.104 1.00 0.00 C ATOM 1306 C TRP A 109 -5.446 -5.615 -5.613 1.00 0.00 C ATOM 1307 O TRP A 109 -6.240 -6.551 -5.533 1.00 0.00 O ATOM 1308 CB TRP A 109 -5.493 -3.102 -5.174 1.00 0.00 C ATOM 1309 CG TRP A 109 -5.300 -1.759 -5.883 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -5.934 -0.603 -5.648 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -4.381 -1.481 -6.960 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -5.493 0.397 -6.490 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -4.518 -0.154 -7.313 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -3.463 -2.322 -7.614 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -3.770 0.450 -8.331 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -2.723 -1.704 -8.629 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -2.849 -0.369 -8.997 1.00 0.00 C ATOM 0 H TRP A 109 -7.882 -4.042 -5.421 1.00 0.00 H new ATOM 0 HA TRP A 109 -5.428 -4.032 -7.058 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.248 -2.985 -4.397 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.563 -3.375 -4.676 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -6.695 -0.470 -4.894 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -5.822 1.362 -6.506 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.339 -3.363 -7.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -3.896 1.491 -8.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.004 -2.306 -9.164 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.240 0.034 -9.792 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.162 -5.691 -5.296 1.00 0.00 N ATOM 1328 CA ALA A 110 -3.583 -6.934 -4.815 1.00 0.00 C ATOM 1329 C ALA A 110 -3.837 -7.061 -3.312 1.00 0.00 C ATOM 1330 O ALA A 110 -4.621 -6.302 -2.744 1.00 0.00 O ATOM 1331 CB ALA A 110 -2.093 -6.969 -5.159 1.00 0.00 C ATOM 0 H ALA A 110 -3.506 -4.912 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.051 -7.790 -5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.658 -7.901 -4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.967 -6.904 -6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.590 -6.127 -4.684 1.00 0.00 H new ATOM 1337 N SER A 111 -3.158 -8.027 -2.710 1.00 0.00 N ATOM 1338 CA SER A 111 -3.301 -8.264 -1.283 1.00 0.00 C ATOM 1339 C SER A 111 -2.379 -7.325 -0.502 1.00 0.00 C ATOM 1340 O SER A 111 -2.844 -6.526 0.310 1.00 0.00 O ATOM 1341 CB SER A 111 -2.995 -9.721 -0.933 1.00 0.00 C ATOM 1342 OG SER A 111 -4.153 -10.547 -1.025 1.00 0.00 O ATOM 0 H SER A 111 -2.508 -8.654 -3.184 1.00 0.00 H new ATOM 0 HA SER A 111 -4.335 -8.062 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.225 -10.101 -1.604 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.591 -9.774 0.078 1.00 0.00 H new ATOM 0 HG SER A 111 -3.916 -11.470 -0.796 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.089 -7.453 -0.774 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.097 -6.627 -0.108 1.00 0.00 C ATOM 1349 C ARG A 112 0.943 -6.130 -1.114 1.00 0.00 C ATOM 1350 O ARG A 112 1.478 -6.913 -1.896 1.00 0.00 O ATOM 1351 CB ARG A 112 0.609 -7.404 1.005 1.00 0.00 C ATOM 1352 CG ARG A 112 0.584 -6.622 2.321 1.00 0.00 C ATOM 1353 CD ARG A 112 0.911 -7.534 3.506 1.00 0.00 C ATOM 1354 NE ARG A 112 2.195 -7.125 4.118 1.00 0.00 N ATOM 1355 CZ ARG A 112 2.668 -7.618 5.271 1.00 0.00 C ATOM 1356 NH1 ARG A 112 1.965 -8.542 5.943 1.00 0.00 N ATOM 1357 NH2 ARG A 112 3.842 -7.188 5.753 1.00 0.00 N ATOM 0 H ARG A 112 -0.708 -8.117 -1.447 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.616 -5.776 0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.124 -8.370 1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.641 -7.604 0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.304 -5.805 2.277 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.399 -6.173 2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.113 -7.483 4.246 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.971 -8.570 3.173 1.00 0.00 H new ATOM 0 HE ARG A 112 2.755 -6.424 3.632 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.071 -8.869 5.576 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.324 -8.918 6.821 1.00 0.00 H new ATOM 0 HH21 ARG A 112 4.376 -6.485 5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 112 4.201 -7.564 6.631 1.00 0.00 H new ATOM 1368 N VAL A 113 1.199 -4.831 -1.060 1.00 0.00 N ATOM 1369 CA VAL A 113 2.166 -4.220 -1.956 1.00 0.00 C ATOM 1370 C VAL A 113 3.576 -4.445 -1.408 1.00 0.00 C ATOM 1371 O VAL A 113 3.752 -5.124 -0.398 1.00 0.00 O ATOM 1372 CB VAL A 113 1.831 -2.741 -2.158 1.00 0.00 C ATOM 1373 CG1 VAL A 113 2.332 -1.900 -0.982 1.00 0.00 C ATOM 1374 CG2 VAL A 113 2.400 -2.226 -3.481 1.00 0.00 C ATOM 0 H VAL A 113 0.753 -4.184 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 113 2.122 -4.686 -2.940 1.00 0.00 H new ATOM 0 HB VAL A 113 0.746 -2.646 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.081 -0.853 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.859 -2.243 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.413 -2.004 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.148 -1.172 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.484 -2.342 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.975 -2.796 -4.307 1.00 0.00 H new