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 59 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 61 ASN : amide:sc= -2.39 K(o=-2.4,f=-1.2) USER MOD Single : A 58 THR OG1 : rot 40:sc= 0.391 USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 63 THR OG1 : rot 48:sc= 0.777 USER MOD Single : A 66 GLN : amide:sc= -1.02 K(o=-1,f=-8!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 2:sc= 0.127 USER MOD Single : A 73 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.12) USER MOD Single : A 74 SER OG : rot 120:sc= 2.05 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc=-0.00533 X(o=-0.0053,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -15.791 -0.828 -14.251 1.00 0.00 N ATOM 592 CA THR A 58 -15.459 -1.664 -13.110 1.00 0.00 C ATOM 593 C THR A 58 -13.945 -1.689 -12.890 1.00 0.00 C ATOM 594 O THR A 58 -13.392 -2.704 -12.472 1.00 0.00 O ATOM 595 CB THR A 58 -16.061 -3.050 -13.350 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.446 -2.795 -13.563 1.00 0.00 O ATOM 597 CG2 THR A 58 -16.031 -3.926 -12.095 1.00 0.00 C ATOM 0 HA THR A 58 -15.883 -1.264 -12.189 1.00 0.00 H new ATOM 0 HB THR A 58 -15.518 -3.548 -14.153 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.550 -1.990 -14.112 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.470 -4.898 -12.319 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.999 -4.060 -11.769 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.603 -3.445 -11.301 1.00 0.00 H new ATOM 605 N TYR A 59 -13.318 -0.558 -13.179 1.00 0.00 N ATOM 606 CA TYR A 59 -11.880 -0.437 -13.018 1.00 0.00 C ATOM 607 C TYR A 59 -11.511 -0.207 -11.551 1.00 0.00 C ATOM 608 O TYR A 59 -12.378 0.075 -10.726 1.00 0.00 O ATOM 609 CB TYR A 59 -11.466 0.789 -13.833 1.00 0.00 C ATOM 610 CG TYR A 59 -11.632 2.116 -13.091 1.00 0.00 C ATOM 611 CD1 TYR A 59 -12.688 2.292 -12.219 1.00 0.00 C ATOM 612 CD2 TYR A 59 -10.726 3.138 -13.291 1.00 0.00 C ATOM 613 CE1 TYR A 59 -12.844 3.541 -11.520 1.00 0.00 C ATOM 614 CE2 TYR A 59 -10.882 4.387 -12.591 1.00 0.00 C ATOM 615 CZ TYR A 59 -11.934 4.526 -11.740 1.00 0.00 C ATOM 616 OH TYR A 59 -12.082 5.706 -11.080 1.00 0.00 O ATOM 0 H TYR A 59 -13.781 0.283 -13.524 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.379 -1.347 -13.348 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.423 0.679 -14.131 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.057 0.820 -14.748 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.397 1.493 -12.061 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.900 3.001 -13.973 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -13.666 3.692 -10.836 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.180 5.194 -12.738 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.358 6.316 -11.334 1.00 0.00 H new ATOM 625 N CYS A 60 -10.222 -0.338 -11.272 1.00 0.00 N ATOM 626 CA CYS A 60 -9.727 -0.148 -9.918 1.00 0.00 C ATOM 627 C CYS A 60 -9.928 1.320 -9.535 1.00 0.00 C ATOM 628 O CYS A 60 -9.875 2.202 -10.390 1.00 0.00 O ATOM 629 CB CYS A 60 -8.264 -0.577 -9.786 1.00 0.00 C ATOM 630 SG CYS A 60 -7.976 -2.377 -9.947 1.00 0.00 S ATOM 0 H CYS A 60 -9.506 -0.573 -11.959 1.00 0.00 H new ATOM 0 HA CYS A 60 -10.287 -0.782 -9.230 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.678 -0.060 -10.546 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.889 -0.248 -8.817 1.00 0.00 H new ATOM 634 N ASN A 61 -10.154 1.535 -8.247 1.00 0.00 N ATOM 635 CA ASN A 61 -10.362 2.881 -7.740 1.00 0.00 C ATOM 636 C ASN A 61 -9.214 3.252 -6.800 1.00 0.00 C ATOM 637 O ASN A 61 -8.479 2.379 -6.338 1.00 0.00 O ATOM 638 CB ASN A 61 -11.669 2.975 -6.949 1.00 0.00 C ATOM 639 CG ASN A 61 -11.940 4.415 -6.507 1.00 0.00 C ATOM 640 OD1 ASN A 61 -12.149 4.705 -5.341 1.00 0.00 O ATOM 641 ND2 ASN A 61 -11.927 5.297 -7.502 1.00 0.00 N ATOM 0 H ASN A 61 -10.198 0.801 -7.540 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.405 3.559 -8.593 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.496 2.617 -7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.617 2.326 -6.075 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.099 6.284 -7.311 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.745 4.986 -8.456 1.00 0.00 H new ATOM 647 N THR A 62 -9.093 4.546 -6.545 1.00 0.00 N ATOM 648 CA THR A 62 -8.045 5.043 -5.669 1.00 0.00 C ATOM 649 C THR A 62 -8.224 4.485 -4.256 1.00 0.00 C ATOM 650 O THR A 62 -9.295 4.617 -3.663 1.00 0.00 O ATOM 651 CB THR A 62 -8.065 6.571 -5.727 1.00 0.00 C ATOM 652 OG1 THR A 62 -7.394 6.881 -6.945 1.00 0.00 O ATOM 653 CG2 THR A 62 -7.191 7.210 -4.646 1.00 0.00 C ATOM 0 H THR A 62 -9.704 5.267 -6.930 1.00 0.00 H new ATOM 0 HA THR A 62 -7.062 4.705 -5.996 1.00 0.00 H new ATOM 0 HB THR A 62 -9.090 6.925 -5.620 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.363 7.853 -7.063 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.241 8.295 -4.732 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.549 6.907 -3.662 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.159 6.883 -4.772 1.00 0.00 H new ATOM 661 N THR A 63 -7.161 3.874 -3.756 1.00 0.00 N ATOM 662 CA THR A 63 -7.186 3.297 -2.422 1.00 0.00 C ATOM 663 C THR A 63 -5.765 3.143 -1.880 1.00 0.00 C ATOM 664 O THR A 63 -4.802 3.122 -2.647 1.00 0.00 O ATOM 665 CB THR A 63 -7.955 1.976 -2.494 1.00 0.00 C ATOM 666 OG1 THR A 63 -9.264 2.312 -2.043 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.459 0.953 -1.470 1.00 0.00 C ATOM 0 H THR A 63 -6.276 3.765 -4.251 1.00 0.00 H new ATOM 0 HA THR A 63 -7.699 3.952 -1.718 1.00 0.00 H new ATOM 0 HB THR A 63 -7.866 1.558 -3.497 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.569 3.124 -2.499 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.038 0.034 -1.564 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.406 0.738 -1.651 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.579 1.357 -0.465 1.00 0.00 H new ATOM 675 N LEU A 64 -5.676 3.040 -0.562 1.00 0.00 N ATOM 676 CA LEU A 64 -4.388 2.888 0.092 1.00 0.00 C ATOM 677 C LEU A 64 -4.468 1.750 1.112 1.00 0.00 C ATOM 678 O LEU A 64 -5.344 1.747 1.976 1.00 0.00 O ATOM 679 CB LEU A 64 -3.932 4.220 0.693 1.00 0.00 C ATOM 680 CG LEU A 64 -4.934 4.919 1.612 1.00 0.00 C ATOM 681 CD1 LEU A 64 -4.868 4.349 3.030 1.00 0.00 C ATOM 682 CD2 LEU A 64 -4.731 6.436 1.595 1.00 0.00 C ATOM 0 H LEU A 64 -6.476 3.059 0.071 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.623 2.612 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.014 4.047 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.684 4.898 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.937 4.724 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.591 4.864 3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.101 3.284 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.866 4.492 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.457 6.908 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.723 6.672 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.869 6.810 0.581 1.00 0.00 H new ATOM 693 N ASP A 65 -3.543 0.811 0.976 1.00 0.00 N ATOM 694 CA ASP A 65 -3.498 -0.330 1.874 1.00 0.00 C ATOM 695 C ASP A 65 -2.503 -0.048 3.002 1.00 0.00 C ATOM 696 O ASP A 65 -2.156 1.105 3.254 1.00 0.00 O ATOM 697 CB ASP A 65 -3.037 -1.590 1.141 1.00 0.00 C ATOM 698 CG ASP A 65 -3.898 -2.832 1.384 1.00 0.00 C ATOM 699 OD1 ASP A 65 -4.182 -3.103 2.570 1.00 0.00 O ATOM 700 OD2 ASP A 65 -4.254 -3.481 0.376 1.00 0.00 O ATOM 0 H ASP A 65 -2.819 0.817 0.257 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.502 -0.489 2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.018 -1.383 0.071 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.013 -1.812 1.441 1.00 0.00 H new ATOM 704 N GLN A 66 -2.072 -1.121 3.649 1.00 0.00 N ATOM 705 CA GLN A 66 -1.123 -1.002 4.743 1.00 0.00 C ATOM 706 C GLN A 66 -0.081 0.073 4.430 1.00 0.00 C ATOM 707 O GLN A 66 0.442 0.719 5.336 1.00 0.00 O ATOM 708 CB GLN A 66 -0.454 -2.346 5.036 1.00 0.00 C ATOM 709 CG GLN A 66 -1.386 -3.263 5.830 1.00 0.00 C ATOM 710 CD GLN A 66 -2.275 -4.085 4.894 1.00 0.00 C ATOM 711 OE1 GLN A 66 -1.828 -4.652 3.911 1.00 0.00 O ATOM 712 NE2 GLN A 66 -3.555 -4.117 5.253 1.00 0.00 N ATOM 0 H GLN A 66 -2.362 -2.076 3.437 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.667 -0.701 5.638 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.175 -2.829 4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.466 -2.183 5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.796 -3.931 6.457 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.008 -2.666 6.497 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.863 -3.620 6.089 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.229 -4.639 4.693 1.00 0.00 H new ATOM 719 N ILE A 67 0.188 0.233 3.142 1.00 0.00 N ATOM 720 CA ILE A 67 1.158 1.218 2.697 1.00 0.00 C ATOM 721 C ILE A 67 0.450 2.553 2.459 1.00 0.00 C ATOM 722 O ILE A 67 -0.219 2.732 1.442 1.00 0.00 O ATOM 723 CB ILE A 67 1.925 0.703 1.478 1.00 0.00 C ATOM 724 CG1 ILE A 67 2.697 -0.574 1.815 1.00 0.00 C ATOM 725 CG2 ILE A 67 2.837 1.789 0.904 1.00 0.00 C ATOM 726 CD1 ILE A 67 1.854 -1.818 1.527 1.00 0.00 C ATOM 0 H ILE A 67 -0.249 -0.303 2.393 1.00 0.00 H new ATOM 0 HA ILE A 67 1.909 1.388 3.468 1.00 0.00 H new ATOM 0 HB ILE A 67 1.202 0.447 0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.617 -0.611 1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.986 -0.562 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.370 1.396 0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.236 2.646 0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.555 2.099 1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.427 -2.711 1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.946 -1.790 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.587 -1.840 0.470 1.00 0.00 H new ATOM 737 N GLY A 68 0.621 3.456 3.413 1.00 0.00 N ATOM 738 CA GLY A 68 0.005 4.769 3.320 1.00 0.00 C ATOM 739 C GLY A 68 -0.026 5.258 1.871 1.00 0.00 C ATOM 740 O GLY A 68 -1.028 5.812 1.420 1.00 0.00 O ATOM 0 H GLY A 68 1.177 3.305 4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.010 4.727 3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.558 5.479 3.935 1.00 0.00 H new ATOM 744 N THR A 69 1.084 5.037 1.181 1.00 0.00 N ATOM 745 CA THR A 69 1.197 5.448 -0.208 1.00 0.00 C ATOM 746 C THR A 69 -0.054 5.041 -0.988 1.00 0.00 C ATOM 747 O THR A 69 -0.280 3.856 -1.232 1.00 0.00 O ATOM 748 CB THR A 69 2.487 4.853 -0.774 1.00 0.00 C ATOM 749 OG1 THR A 69 3.506 5.742 -0.327 1.00 0.00 O ATOM 750 CG2 THR A 69 2.554 4.946 -2.300 1.00 0.00 C ATOM 0 H THR A 69 1.913 4.578 1.559 1.00 0.00 H new ATOM 0 HA THR A 69 1.257 6.533 -0.296 1.00 0.00 H new ATOM 0 HB THR A 69 2.569 3.810 -0.470 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.377 5.429 -0.649 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.489 4.510 -2.650 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.715 4.403 -2.735 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.506 5.992 -2.603 1.00 0.00 H new ATOM 758 N CYS A 70 -0.835 6.045 -1.357 1.00 0.00 N ATOM 759 CA CYS A 70 -2.058 5.806 -2.106 1.00 0.00 C ATOM 760 C CYS A 70 -1.696 5.660 -3.585 1.00 0.00 C ATOM 761 O CYS A 70 -0.804 6.347 -4.079 1.00 0.00 O ATOM 762 CB CYS A 70 -3.088 6.914 -1.876 1.00 0.00 C ATOM 763 SG CYS A 70 -2.809 8.435 -2.854 1.00 0.00 S ATOM 0 H CYS A 70 -0.645 7.026 -1.152 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.527 4.886 -1.756 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -4.079 6.524 -2.111 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.090 7.175 -0.818 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.776 8.271 -3.626 1.00 0.00 H new ATOM 767 N TRP A 71 -2.408 4.762 -4.250 1.00 0.00 N ATOM 768 CA TRP A 71 -2.173 4.518 -5.662 1.00 0.00 C ATOM 769 C TRP A 71 -3.381 5.043 -6.441 1.00 0.00 C ATOM 770 O TRP A 71 -4.519 4.911 -5.991 1.00 0.00 O ATOM 771 CB TRP A 71 -1.891 3.037 -5.923 1.00 0.00 C ATOM 772 CG TRP A 71 -0.797 2.445 -5.033 1.00 0.00 C ATOM 773 CD1 TRP A 71 -0.855 2.177 -3.722 1.00 0.00 C ATOM 774 CD2 TRP A 71 0.531 2.057 -5.446 1.00 0.00 C ATOM 775 NE1 TRP A 71 0.333 1.645 -3.261 1.00 0.00 N ATOM 776 CE2 TRP A 71 1.202 1.571 -4.343 1.00 0.00 C ATOM 777 CE3 TRP A 71 1.144 2.114 -6.710 1.00 0.00 C ATOM 778 CZ2 TRP A 71 2.521 1.105 -4.392 1.00 0.00 C ATOM 779 CZ3 TRP A 71 2.463 1.646 -6.742 1.00 0.00 C ATOM 780 CH2 TRP A 71 3.152 1.153 -5.641 1.00 0.00 C ATOM 0 H TRP A 71 -3.148 4.195 -3.836 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.283 5.048 -6.002 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -2.811 2.471 -5.775 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.603 2.911 -6.967 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.722 2.355 -3.103 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.535 1.359 -2.303 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.637 2.489 -7.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 3.025 0.729 -3.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.981 1.670 -7.689 1.00 0.00 H new ATOM 0 HH2 TRP A 71 4.170 0.808 -5.748 1.00 0.00 H new ATOM 790 N PRO A 72 -3.085 5.642 -7.624 1.00 0.00 N ATOM 791 CA PRO A 72 -4.134 6.189 -8.470 1.00 0.00 C ATOM 792 C PRO A 72 -4.897 5.072 -9.185 1.00 0.00 C ATOM 793 O PRO A 72 -4.309 4.069 -9.585 1.00 0.00 O ATOM 794 CB PRO A 72 -3.420 7.128 -9.426 1.00 0.00 C ATOM 795 CG PRO A 72 -1.954 6.724 -9.391 1.00 0.00 C ATOM 796 CD PRO A 72 -1.751 5.817 -8.189 1.00 0.00 C ATOM 0 HA PRO A 72 -4.896 6.725 -7.904 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.825 7.041 -10.434 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.546 8.167 -9.120 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.678 6.207 -10.310 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.317 7.605 -9.317 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.318 4.861 -8.484 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.071 6.266 -7.465 1.00 0.00 H new ATOM 801 N GLN A 73 -6.198 5.284 -9.327 1.00 0.00 N ATOM 802 CA GLN A 73 -7.048 4.309 -9.988 1.00 0.00 C ATOM 803 C GLN A 73 -6.296 3.648 -11.146 1.00 0.00 C ATOM 804 O GLN A 73 -5.414 4.258 -11.746 1.00 0.00 O ATOM 805 CB GLN A 73 -8.347 4.954 -10.475 1.00 0.00 C ATOM 806 CG GLN A 73 -8.991 5.792 -9.369 1.00 0.00 C ATOM 807 CD GLN A 73 -9.009 7.275 -9.743 1.00 0.00 C ATOM 808 OE1 GLN A 73 -9.958 7.996 -9.484 1.00 0.00 O ATOM 809 NE2 GLN A 73 -7.908 7.688 -10.367 1.00 0.00 N ATOM 0 H GLN A 73 -6.684 6.117 -8.995 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.313 3.538 -9.265 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.142 5.584 -11.341 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.042 4.180 -10.801 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.009 5.446 -9.192 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.441 5.655 -8.438 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.150 7.031 -10.553 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.822 8.661 -10.659 1.00 0.00 H new ATOM 816 N SER A 74 -6.674 2.409 -11.423 1.00 0.00 N ATOM 817 CA SER A 74 -6.047 1.658 -12.499 1.00 0.00 C ATOM 818 C SER A 74 -7.090 0.795 -13.212 1.00 0.00 C ATOM 819 O SER A 74 -8.286 0.921 -12.954 1.00 0.00 O ATOM 820 CB SER A 74 -4.908 0.786 -11.969 1.00 0.00 C ATOM 821 OG SER A 74 -4.122 1.466 -10.994 1.00 0.00 O ATOM 0 H SER A 74 -7.406 1.906 -10.922 1.00 0.00 H new ATOM 0 HA SER A 74 -5.625 2.367 -13.211 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.321 -0.123 -11.531 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.271 0.479 -12.798 1.00 0.00 H new ATOM 0 HG SER A 74 -4.159 0.977 -10.145 1.00 0.00 H new ATOM 826 N ALA A 75 -6.599 -0.062 -14.094 1.00 0.00 N ATOM 827 CA ALA A 75 -7.472 -0.946 -14.846 1.00 0.00 C ATOM 828 C ALA A 75 -7.455 -2.337 -14.210 1.00 0.00 C ATOM 829 O ALA A 75 -6.477 -2.717 -13.568 1.00 0.00 O ATOM 830 CB ALA A 75 -7.036 -0.970 -16.312 1.00 0.00 C ATOM 0 H ALA A 75 -5.606 -0.163 -14.305 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.500 -0.584 -14.818 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.692 -1.634 -16.876 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.096 0.037 -16.726 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.009 -1.330 -16.380 1.00 0.00 H new ATOM 836 N PRO A 76 -8.577 -3.077 -14.415 1.00 0.00 N ATOM 837 CA PRO A 76 -8.699 -4.418 -13.868 1.00 0.00 C ATOM 838 C PRO A 76 -7.855 -5.414 -14.666 1.00 0.00 C ATOM 839 O PRO A 76 -7.684 -5.262 -15.874 1.00 0.00 O ATOM 840 CB PRO A 76 -10.186 -4.728 -13.916 1.00 0.00 C ATOM 841 CG PRO A 76 -10.785 -3.745 -14.910 1.00 0.00 C ATOM 842 CD PRO A 76 -9.754 -2.659 -15.170 1.00 0.00 C ATOM 0 HA PRO A 76 -8.323 -4.492 -12.848 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.360 -5.757 -14.231 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.641 -4.614 -12.932 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.047 -4.253 -15.838 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.703 -3.312 -14.513 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.532 -2.571 -16.233 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.112 -1.685 -14.837 1.00 0.00 H new ATOM 847 N GLY A 77 -7.348 -6.411 -13.955 1.00 0.00 N ATOM 848 CA GLY A 77 -6.525 -7.432 -14.581 1.00 0.00 C ATOM 849 C GLY A 77 -5.136 -6.886 -14.919 1.00 0.00 C ATOM 850 O GLY A 77 -4.334 -7.571 -15.551 1.00 0.00 O ATOM 0 H GLY A 77 -7.491 -6.533 -12.953 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.430 -8.288 -13.913 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.010 -7.789 -15.489 1.00 0.00 H new ATOM 854 N ALA A 78 -4.896 -5.658 -14.484 1.00 0.00 N ATOM 855 CA ALA A 78 -3.619 -5.012 -14.733 1.00 0.00 C ATOM 856 C ALA A 78 -2.701 -5.226 -13.528 1.00 0.00 C ATOM 857 O ALA A 78 -2.894 -6.162 -12.754 1.00 0.00 O ATOM 858 CB ALA A 78 -3.846 -3.530 -15.037 1.00 0.00 C ATOM 0 H ALA A 78 -5.565 -5.093 -13.960 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.130 -5.451 -15.603 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.887 -3.046 -15.224 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.480 -3.432 -15.918 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.333 -3.054 -14.186 1.00 0.00 H new ATOM 864 N LEU A 79 -1.721 -4.342 -13.406 1.00 0.00 N ATOM 865 CA LEU A 79 -0.773 -4.422 -12.308 1.00 0.00 C ATOM 866 C LEU A 79 0.157 -3.208 -12.354 1.00 0.00 C ATOM 867 O LEU A 79 0.683 -2.864 -13.411 1.00 0.00 O ATOM 868 CB LEU A 79 -0.036 -5.763 -12.334 1.00 0.00 C ATOM 869 CG LEU A 79 0.413 -6.254 -13.711 1.00 0.00 C ATOM 870 CD1 LEU A 79 1.884 -5.914 -13.962 1.00 0.00 C ATOM 871 CD2 LEU A 79 0.134 -7.750 -13.877 1.00 0.00 C ATOM 0 H LEU A 79 -1.563 -3.567 -14.050 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.294 -4.389 -11.351 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.843 -5.685 -11.694 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.685 -6.520 -11.894 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.172 -5.731 -14.468 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.178 -6.274 -14.948 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.021 -4.834 -13.915 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.503 -6.392 -13.202 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.462 -8.074 -14.865 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.676 -8.308 -13.113 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.935 -7.935 -13.772 1.00 0.00 H new ATOM 882 N VAL A 80 0.331 -2.592 -11.193 1.00 0.00 N ATOM 883 CA VAL A 80 1.189 -1.424 -11.088 1.00 0.00 C ATOM 884 C VAL A 80 2.517 -1.828 -10.445 1.00 0.00 C ATOM 885 O VAL A 80 2.883 -1.311 -9.390 1.00 0.00 O ATOM 886 CB VAL A 80 0.467 -0.313 -10.321 1.00 0.00 C ATOM 887 CG1 VAL A 80 1.443 0.789 -9.905 1.00 0.00 C ATOM 888 CG2 VAL A 80 -0.688 0.259 -11.145 1.00 0.00 C ATOM 0 H VAL A 80 -0.107 -2.880 -10.318 1.00 0.00 H new ATOM 0 HA VAL A 80 1.415 -1.025 -12.077 1.00 0.00 H new ATOM 0 HB VAL A 80 0.048 -0.749 -9.414 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.905 1.566 -9.362 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.216 0.367 -9.263 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.904 1.221 -10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.185 1.046 -10.578 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.301 0.672 -12.077 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.403 -0.533 -11.368 1.00 0.00 H new ATOM 898 N GLU A 81 3.203 -2.749 -11.108 1.00 0.00 N ATOM 899 CA GLU A 81 4.482 -3.228 -10.614 1.00 0.00 C ATOM 900 C GLU A 81 5.620 -2.366 -11.164 1.00 0.00 C ATOM 901 O GLU A 81 5.569 -1.922 -12.310 1.00 0.00 O ATOM 902 CB GLU A 81 4.689 -4.702 -10.969 1.00 0.00 C ATOM 903 CG GLU A 81 4.966 -4.872 -12.464 1.00 0.00 C ATOM 904 CD GLU A 81 6.412 -5.310 -12.708 1.00 0.00 C ATOM 905 OE1 GLU A 81 6.844 -6.254 -12.012 1.00 0.00 O ATOM 906 OE2 GLU A 81 7.052 -4.691 -13.586 1.00 0.00 O ATOM 0 H GLU A 81 2.897 -3.175 -11.982 1.00 0.00 H new ATOM 0 HA GLU A 81 4.484 -3.146 -9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.522 -5.105 -10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.804 -5.274 -10.692 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.283 -5.611 -12.882 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.775 -3.932 -12.982 1.00 0.00 H new ATOM 911 N ARG A 82 6.620 -2.154 -10.321 1.00 0.00 N ATOM 912 CA ARG A 82 7.769 -1.354 -10.709 1.00 0.00 C ATOM 913 C ARG A 82 9.013 -1.800 -9.937 1.00 0.00 C ATOM 914 O ARG A 82 9.572 -1.032 -9.156 1.00 0.00 O ATOM 915 CB ARG A 82 7.518 0.132 -10.443 1.00 0.00 C ATOM 916 CG ARG A 82 6.221 0.597 -11.107 1.00 0.00 C ATOM 917 CD ARG A 82 6.147 2.124 -11.157 1.00 0.00 C ATOM 918 NE ARG A 82 5.340 2.631 -10.024 1.00 0.00 N ATOM 919 CZ ARG A 82 5.374 3.895 -9.584 1.00 0.00 C ATOM 920 NH1 ARG A 82 6.174 4.791 -10.178 1.00 0.00 N ATOM 921 NH2 ARG A 82 4.608 4.264 -8.548 1.00 0.00 N ATOM 0 H ARG A 82 6.658 -2.522 -9.371 1.00 0.00 H new ATOM 0 HA ARG A 82 7.930 -1.500 -11.777 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.464 0.309 -9.369 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.355 0.719 -10.821 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.161 0.193 -12.118 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.366 0.206 -10.556 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.151 2.546 -11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.705 2.444 -12.101 1.00 0.00 H new ATOM 0 HE ARG A 82 4.719 1.976 -9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.758 4.510 -10.966 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.199 5.754 -9.842 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.000 3.582 -8.095 1.00 0.00 H new ATOM 0 HH22 ARG A 82 4.634 5.227 -8.212 1.00 0.00 H new ATOM 1166 N ALA A 99 7.765 -1.342 -6.205 1.00 0.00 N ATOM 1167 CA ALA A 99 6.635 -2.024 -5.595 1.00 0.00 C ATOM 1168 C ALA A 99 6.027 -2.997 -6.607 1.00 0.00 C ATOM 1169 O ALA A 99 6.405 -2.999 -7.777 1.00 0.00 O ATOM 1170 CB ALA A 99 5.622 -0.990 -5.100 1.00 0.00 C ATOM 0 HA ALA A 99 6.957 -2.605 -4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.775 -1.501 -4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.095 -0.341 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.273 -0.391 -5.941 1.00 0.00 H new ATOM 1176 N TYR A 100 5.095 -3.803 -6.118 1.00 0.00 N ATOM 1177 CA TYR A 100 4.431 -4.779 -6.965 1.00 0.00 C ATOM 1178 C TYR A 100 2.993 -5.018 -6.502 1.00 0.00 C ATOM 1179 O TYR A 100 2.761 -5.727 -5.523 1.00 0.00 O ATOM 1180 CB TYR A 100 5.226 -6.078 -6.814 1.00 0.00 C ATOM 1181 CG TYR A 100 4.636 -7.260 -7.586 1.00 0.00 C ATOM 1182 CD1 TYR A 100 3.710 -8.086 -6.982 1.00 0.00 C ATOM 1183 CD2 TYR A 100 5.032 -7.502 -8.885 1.00 0.00 C ATOM 1184 CE1 TYR A 100 3.156 -9.199 -7.707 1.00 0.00 C ATOM 1185 CE2 TYR A 100 4.479 -8.615 -9.612 1.00 0.00 C ATOM 1186 CZ TYR A 100 3.567 -9.409 -8.987 1.00 0.00 C ATOM 1187 OH TYR A 100 3.044 -10.460 -9.673 1.00 0.00 O ATOM 0 H TYR A 100 4.784 -3.800 -5.146 1.00 0.00 H new ATOM 0 HA TYR A 100 4.393 -4.430 -7.997 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.248 -5.909 -7.154 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.281 -6.338 -5.757 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.401 -7.897 -5.965 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.757 -6.856 -9.357 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.431 -9.853 -7.246 1.00 0.00 H new ATOM 0 HE2 TYR A 100 4.781 -8.815 -10.629 1.00 0.00 H new ATOM 0 HH TYR A 100 3.428 -10.486 -10.574 1.00 0.00 H new ATOM 1196 N ARG A 101 2.063 -4.413 -7.227 1.00 0.00 N ATOM 1197 CA ARG A 101 0.654 -4.552 -6.902 1.00 0.00 C ATOM 1198 C ARG A 101 -0.152 -4.882 -8.161 1.00 0.00 C ATOM 1199 O ARG A 101 -0.078 -4.162 -9.156 1.00 0.00 O ATOM 1200 CB ARG A 101 0.104 -3.268 -6.276 1.00 0.00 C ATOM 1201 CG ARG A 101 0.026 -3.392 -4.753 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.428 -3.497 -4.285 1.00 0.00 C ATOM 1203 NE ARG A 101 -1.699 -2.482 -3.242 1.00 0.00 N ATOM 1204 CZ ARG A 101 -2.009 -1.205 -3.500 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -2.090 -0.777 -4.767 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -2.239 -0.354 -2.491 1.00 0.00 N ATOM 0 H ARG A 101 2.258 -3.826 -8.038 1.00 0.00 H new ATOM 0 HA ARG A 101 0.559 -5.365 -6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.742 -2.426 -6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.887 -3.058 -6.679 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.581 -4.272 -4.427 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.499 -2.527 -4.289 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.102 -3.352 -5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.621 -4.495 -3.892 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.646 -2.773 -2.266 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.916 -1.424 -5.536 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.326 0.196 -4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.178 -0.679 -1.526 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.475 0.619 -2.688 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.901 -5.970 -8.077 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.718 -6.404 -9.197 1.00 0.00 C ATOM 1219 C GLU A 102 -3.177 -5.998 -8.979 1.00 0.00 C ATOM 1220 O GLU A 102 -3.617 -5.835 -7.842 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.597 -7.915 -9.412 1.00 0.00 C ATOM 1222 CG GLU A 102 -2.018 -8.682 -8.157 1.00 0.00 C ATOM 1223 CD GLU A 102 -2.814 -9.937 -8.522 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -2.267 -10.750 -9.298 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -3.952 -10.053 -8.019 1.00 0.00 O ATOM 0 H GLU A 102 -0.960 -6.565 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.354 -5.911 -10.098 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.220 -8.217 -10.254 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.569 -8.168 -9.670 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.134 -8.962 -7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.621 -8.037 -7.518 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.888 -5.844 -10.087 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.287 -5.458 -10.031 1.00 0.00 C ATOM 1232 C CYS A 103 -6.121 -6.589 -10.637 1.00 0.00 C ATOM 1233 O CYS A 103 -5.982 -6.903 -11.818 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.535 -4.124 -10.738 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.047 -2.756 -9.636 1.00 0.00 S ATOM 0 H CYS A 103 -3.521 -5.980 -11.029 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.583 -5.304 -8.993 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.624 -3.830 -11.260 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.304 -4.268 -11.497 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.969 -7.170 -9.801 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.825 -8.259 -10.239 1.00 0.00 C ATOM 1241 C LEU A 104 -8.706 -7.775 -11.393 1.00 0.00 C ATOM 1242 O LEU A 104 -8.822 -6.574 -11.629 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.614 -8.828 -9.059 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.955 -9.984 -8.305 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.606 -10.189 -6.936 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -7.968 -11.264 -9.144 1.00 0.00 C ATOM 0 H LEU A 104 -7.081 -6.907 -8.822 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.226 -9.086 -10.619 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.804 -8.021 -8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.584 -9.165 -9.425 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.911 -9.725 -8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.118 -11.017 -6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.500 -9.280 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.664 -10.416 -7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.494 -12.070 -8.585 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.998 -11.538 -9.373 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.422 -11.096 -10.072 1.00 0.00 H new ATOM 1257 N GLU A 105 -9.304 -8.737 -12.081 1.00 0.00 N ATOM 1258 CA GLU A 105 -10.171 -8.425 -13.205 1.00 0.00 C ATOM 1259 C GLU A 105 -11.537 -7.951 -12.705 1.00 0.00 C ATOM 1260 O GLU A 105 -12.426 -7.659 -13.504 1.00 0.00 O ATOM 1261 CB GLU A 105 -10.316 -9.630 -14.137 1.00 0.00 C ATOM 1262 CG GLU A 105 -10.676 -9.186 -15.556 1.00 0.00 C ATOM 1263 CD GLU A 105 -11.024 -10.388 -16.435 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -11.982 -11.102 -16.068 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -10.323 -10.567 -17.455 1.00 0.00 O ATOM 0 H GLU A 105 -9.205 -9.732 -11.882 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.715 -7.618 -13.778 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.384 -10.195 -14.154 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.087 -10.299 -13.755 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.521 -8.499 -15.522 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.840 -8.641 -15.994 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.660 -7.887 -11.388 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.903 -7.452 -10.773 1.00 0.00 C ATOM 1272 C ASN A 106 -12.795 -5.970 -10.407 1.00 0.00 C ATOM 1273 O ASN A 106 -13.755 -5.377 -9.918 1.00 0.00 O ATOM 1274 CB ASN A 106 -13.186 -8.236 -9.490 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.634 -8.728 -9.455 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.571 -7.968 -9.267 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.766 -10.038 -9.647 1.00 0.00 N ATOM 0 H ASN A 106 -10.920 -8.129 -10.729 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.710 -7.623 -11.486 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.508 -9.087 -9.422 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.992 -7.604 -8.623 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.693 -10.463 -9.643 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.940 -10.617 -9.799 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.618 -5.415 -10.659 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.373 -4.015 -10.362 1.00 0.00 C ATOM 1285 C GLY A 107 -10.995 -3.823 -8.892 1.00 0.00 C ATOM 1286 O GLY A 107 -11.566 -2.976 -8.207 1.00 0.00 O ATOM 0 H GLY A 107 -10.824 -5.910 -11.065 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.572 -3.639 -10.999 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.264 -3.430 -10.591 1.00 0.00 H new ATOM 1290 N THR A 108 -10.036 -4.624 -8.452 1.00 0.00 N ATOM 1291 CA THR A 108 -9.575 -4.553 -7.075 1.00 0.00 C ATOM 1292 C THR A 108 -8.055 -4.721 -7.013 1.00 0.00 C ATOM 1293 O THR A 108 -7.454 -5.302 -7.914 1.00 0.00 O ATOM 1294 CB THR A 108 -10.337 -5.606 -6.268 1.00 0.00 C ATOM 1295 OG1 THR A 108 -10.053 -6.831 -6.939 1.00 0.00 O ATOM 1296 CG2 THR A 108 -11.854 -5.455 -6.392 1.00 0.00 C ATOM 0 H THR A 108 -9.565 -5.325 -9.024 1.00 0.00 H new ATOM 0 HA THR A 108 -9.780 -3.576 -6.638 1.00 0.00 H new ATOM 0 HB THR A 108 -10.051 -5.536 -5.219 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.507 -7.568 -6.480 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.346 -6.227 -5.800 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.153 -4.472 -6.027 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.146 -5.558 -7.437 1.00 0.00 H new ATOM 1304 N TRP A 109 -7.480 -4.200 -5.939 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.041 -4.285 -5.747 1.00 0.00 C ATOM 1306 C TRP A 109 -5.725 -5.656 -5.144 1.00 0.00 C ATOM 1307 O TRP A 109 -6.600 -6.515 -5.053 1.00 0.00 O ATOM 1308 CB TRP A 109 -5.533 -3.123 -4.890 1.00 0.00 C ATOM 1309 CG TRP A 109 -5.450 -1.791 -5.636 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.184 -0.687 -5.437 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -4.548 -1.464 -6.713 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -5.822 0.323 -6.306 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -4.795 -0.165 -7.106 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -3.554 -2.241 -7.336 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.092 0.473 -8.135 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -2.861 -1.590 -8.362 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.098 -0.282 -8.770 1.00 0.00 C ATOM 0 H TRP A 109 -7.983 -3.718 -5.194 1.00 0.00 H new ATOM 0 HA TRP A 109 -5.518 -4.195 -6.699 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.191 -3.005 -4.029 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.545 -3.374 -4.504 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -6.960 -0.599 -4.691 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.233 1.256 -6.352 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.343 -3.259 -7.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.305 1.492 -8.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.087 -2.143 -8.874 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.518 0.150 -9.573 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.471 -5.816 -4.747 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.029 -7.068 -4.155 1.00 0.00 C ATOM 1329 C ALA A 110 -4.006 -6.927 -2.631 1.00 0.00 C ATOM 1330 O ALA A 110 -4.530 -5.957 -2.087 1.00 0.00 O ATOM 1331 CB ALA A 110 -2.661 -7.447 -4.726 1.00 0.00 C ATOM 0 H ALA A 110 -3.748 -5.101 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.720 -7.874 -4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.329 -8.386 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.738 -7.563 -5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.941 -6.662 -4.496 1.00 0.00 H new ATOM 1337 N SER A 111 -3.393 -7.909 -1.988 1.00 0.00 N ATOM 1338 CA SER A 111 -3.295 -7.907 -0.538 1.00 0.00 C ATOM 1339 C SER A 111 -2.581 -6.639 -0.064 1.00 0.00 C ATOM 1340 O SER A 111 -3.139 -5.860 0.706 1.00 0.00 O ATOM 1341 CB SER A 111 -2.560 -9.150 -0.033 1.00 0.00 C ATOM 1342 OG SER A 111 -3.462 -10.166 0.395 1.00 0.00 O ATOM 0 H SER A 111 -2.959 -8.712 -2.444 1.00 0.00 H new ATOM 0 HA SER A 111 -4.304 -7.924 -0.127 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.923 -9.541 -0.826 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.906 -8.874 0.794 1.00 0.00 H new ATOM 0 HG SER A 111 -2.954 -10.943 0.708 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.357 -6.473 -0.544 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.561 -5.313 -0.179 1.00 0.00 C ATOM 1349 C ARG A 112 0.742 -5.290 -0.981 1.00 0.00 C ATOM 1350 O ARG A 112 1.389 -6.323 -1.150 1.00 0.00 O ATOM 1351 CB ARG A 112 -0.233 -5.319 1.315 1.00 0.00 C ATOM 1352 CG ARG A 112 0.536 -6.583 1.703 1.00 0.00 C ATOM 1353 CD ARG A 112 0.936 -6.551 3.180 1.00 0.00 C ATOM 1354 NE ARG A 112 0.623 -7.850 3.817 1.00 0.00 N ATOM 1355 CZ ARG A 112 -0.608 -8.230 4.185 1.00 0.00 C ATOM 1356 NH1 ARG A 112 -1.650 -7.412 3.980 1.00 0.00 N ATOM 1357 NH2 ARG A 112 -0.798 -9.427 4.756 1.00 0.00 N ATOM 0 H ARG A 112 -0.897 -7.122 -1.182 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.147 -4.423 -0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.359 -4.438 1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.155 -5.258 1.893 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.079 -7.461 1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.428 -6.675 1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.001 -6.338 3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.405 -5.748 3.692 1.00 0.00 H new ATOM 0 HE ARG A 112 1.393 -8.497 3.987 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.505 -6.501 3.544 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.588 -7.700 4.260 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.005 -10.050 4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.735 -9.716 5.036 1.00 0.00 H new ATOM 1368 N VAL A 113 1.087 -4.102 -1.453 1.00 0.00 N ATOM 1369 CA VAL A 113 2.302 -3.931 -2.232 1.00 0.00 C ATOM 1370 C VAL A 113 3.466 -4.613 -1.511 1.00 0.00 C ATOM 1371 O VAL A 113 3.441 -4.767 -0.291 1.00 0.00 O ATOM 1372 CB VAL A 113 2.550 -2.444 -2.495 1.00 0.00 C ATOM 1373 CG1 VAL A 113 3.235 -1.783 -1.297 1.00 0.00 C ATOM 1374 CG2 VAL A 113 3.365 -2.242 -3.773 1.00 0.00 C ATOM 0 H VAL A 113 0.547 -3.248 -1.311 1.00 0.00 H new ATOM 0 HA VAL A 113 2.200 -4.407 -3.207 1.00 0.00 H new ATOM 0 HB VAL A 113 1.582 -1.962 -2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.400 -0.727 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.601 -1.881 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.193 -2.270 -1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.527 -1.177 -3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.327 -2.744 -3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.822 -2.661 -4.621 1.00 0.00 H new