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 61 ASN : amide:sc= -4.5! C(o=-10!,f=-12!) USER MOD Set 1.2: A 73 GLN : amide:sc= -5.68! C(o=-10!,f=-11!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 31:sc= 0.107 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc=-0.00633 X(o=-0.0063,f=0) USER MOD Single : A 69 THR OG1 : rot 149:sc= -0.823 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 143:sc= -0.495 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.806 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -15.844 0.690 -12.792 1.00 0.00 N ATOM 592 CA THR A 58 -15.849 -0.713 -12.418 1.00 0.00 C ATOM 593 C THR A 58 -14.418 -1.239 -12.299 1.00 0.00 C ATOM 594 O THR A 58 -14.173 -2.237 -11.623 1.00 0.00 O ATOM 595 CB THR A 58 -16.692 -1.473 -13.444 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.928 -1.706 -12.774 1.00 0.00 O ATOM 597 CG2 THR A 58 -16.150 -2.875 -13.724 1.00 0.00 C ATOM 0 HA THR A 58 -16.298 -0.858 -11.435 1.00 0.00 H new ATOM 0 HB THR A 58 -16.729 -0.906 -14.374 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.536 -2.193 -13.369 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.785 -3.371 -14.458 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.134 -2.802 -14.113 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.144 -3.454 -12.800 1.00 0.00 H new ATOM 605 N TYR A 59 -13.508 -0.544 -12.966 1.00 0.00 N ATOM 606 CA TYR A 59 -12.107 -0.928 -12.944 1.00 0.00 C ATOM 607 C TYR A 59 -11.449 -0.521 -11.625 1.00 0.00 C ATOM 608 O TYR A 59 -12.047 0.191 -10.821 1.00 0.00 O ATOM 609 CB TYR A 59 -11.442 -0.163 -14.090 1.00 0.00 C ATOM 610 CG TYR A 59 -11.822 1.318 -14.153 1.00 0.00 C ATOM 611 CD1 TYR A 59 -11.140 2.238 -13.382 1.00 0.00 C ATOM 612 CD2 TYR A 59 -12.846 1.734 -14.980 1.00 0.00 C ATOM 613 CE1 TYR A 59 -11.497 3.632 -13.441 1.00 0.00 C ATOM 614 CE2 TYR A 59 -13.203 3.127 -15.039 1.00 0.00 C ATOM 615 CZ TYR A 59 -12.511 4.008 -14.267 1.00 0.00 C ATOM 616 OH TYR A 59 -12.848 5.324 -14.322 1.00 0.00 O ATOM 0 H TYR A 59 -13.714 0.284 -13.525 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.003 -2.008 -13.047 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.360 -0.246 -13.989 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.711 -0.637 -15.034 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.339 1.912 -12.735 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.379 1.014 -15.583 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.972 4.362 -12.843 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -14.002 3.465 -15.682 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.587 5.446 -14.954 1.00 0.00 H new ATOM 625 N CYS A 60 -10.223 -0.992 -11.443 1.00 0.00 N ATOM 626 CA CYS A 60 -9.476 -0.687 -10.235 1.00 0.00 C ATOM 627 C CYS A 60 -9.797 0.751 -9.823 1.00 0.00 C ATOM 628 O CYS A 60 -9.794 1.655 -10.656 1.00 0.00 O ATOM 629 CB CYS A 60 -7.974 -0.902 -10.429 1.00 0.00 C ATOM 630 SG CYS A 60 -7.524 -2.478 -11.242 1.00 0.00 S ATOM 0 H CYS A 60 -9.729 -1.582 -12.112 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.774 -1.368 -9.438 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.577 -0.078 -11.021 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.486 -0.859 -9.455 1.00 0.00 H new ATOM 634 N ASN A 61 -10.067 0.919 -8.536 1.00 0.00 N ATOM 635 CA ASN A 61 -10.389 2.231 -8.002 1.00 0.00 C ATOM 636 C ASN A 61 -9.156 2.811 -7.306 1.00 0.00 C ATOM 637 O ASN A 61 -8.072 2.233 -7.372 1.00 0.00 O ATOM 638 CB ASN A 61 -11.517 2.145 -6.972 1.00 0.00 C ATOM 639 CG ASN A 61 -12.372 3.414 -6.986 1.00 0.00 C ATOM 640 OD1 ASN A 61 -13.161 3.651 -7.886 1.00 0.00 O ATOM 641 ND2 ASN A 61 -12.170 4.213 -5.943 1.00 0.00 N ATOM 0 H ASN A 61 -10.069 0.167 -7.847 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.705 2.864 -8.831 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.143 1.278 -7.185 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.096 1.997 -5.978 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.691 5.086 -5.861 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.494 3.953 -5.225 1.00 0.00 H new ATOM 647 N THR A 62 -9.363 3.946 -6.656 1.00 0.00 N ATOM 648 CA THR A 62 -8.282 4.611 -5.949 1.00 0.00 C ATOM 649 C THR A 62 -8.329 4.267 -4.458 1.00 0.00 C ATOM 650 O THR A 62 -9.398 4.274 -3.850 1.00 0.00 O ATOM 651 CB THR A 62 -8.385 6.111 -6.230 1.00 0.00 C ATOM 652 OG1 THR A 62 -7.236 6.664 -5.592 1.00 0.00 O ATOM 653 CG2 THR A 62 -9.563 6.764 -5.504 1.00 0.00 C ATOM 0 H THR A 62 -10.263 4.422 -6.604 1.00 0.00 H new ATOM 0 HA THR A 62 -7.309 4.266 -6.300 1.00 0.00 H new ATOM 0 HB THR A 62 -8.485 6.272 -7.303 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.509 6.006 -5.599 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.590 7.828 -5.738 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.494 6.298 -5.828 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.446 6.632 -4.428 1.00 0.00 H new ATOM 661 N THR A 63 -7.156 3.977 -3.914 1.00 0.00 N ATOM 662 CA THR A 63 -7.050 3.632 -2.507 1.00 0.00 C ATOM 663 C THR A 63 -5.585 3.431 -2.115 1.00 0.00 C ATOM 664 O THR A 63 -4.738 3.182 -2.973 1.00 0.00 O ATOM 665 CB THR A 63 -7.921 2.398 -2.255 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.272 2.497 -0.877 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.127 1.094 -2.345 1.00 0.00 C ATOM 0 H THR A 63 -6.272 3.974 -4.422 1.00 0.00 H new ATOM 0 HA THR A 63 -7.415 4.441 -1.874 1.00 0.00 H new ATOM 0 HB THR A 63 -8.738 2.376 -2.976 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.839 1.737 -0.628 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.791 0.250 -2.158 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.692 1.001 -3.340 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.331 1.101 -1.601 1.00 0.00 H new ATOM 675 N LEU A 64 -5.330 3.547 -0.821 1.00 0.00 N ATOM 676 CA LEU A 64 -3.981 3.381 -0.305 1.00 0.00 C ATOM 677 C LEU A 64 -3.904 2.083 0.501 1.00 0.00 C ATOM 678 O LEU A 64 -4.913 1.408 0.696 1.00 0.00 O ATOM 679 CB LEU A 64 -3.552 4.621 0.483 1.00 0.00 C ATOM 680 CG LEU A 64 -4.476 5.041 1.627 1.00 0.00 C ATOM 681 CD1 LEU A 64 -3.834 4.750 2.985 1.00 0.00 C ATOM 682 CD2 LEU A 64 -4.887 6.508 1.490 1.00 0.00 C ATOM 0 H LEU A 64 -6.035 3.754 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.268 3.290 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.558 4.441 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.464 5.456 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.387 4.445 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.512 5.058 3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.634 3.682 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.898 5.302 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.544 6.781 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.998 7.138 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.413 6.652 0.546 1.00 0.00 H new ATOM 693 N ASP A 65 -2.695 1.773 0.947 1.00 0.00 N ATOM 694 CA ASP A 65 -2.473 0.567 1.728 1.00 0.00 C ATOM 695 C ASP A 65 -1.881 0.947 3.087 1.00 0.00 C ATOM 696 O ASP A 65 -1.991 2.095 3.516 1.00 0.00 O ATOM 697 CB ASP A 65 -1.485 -0.368 1.027 1.00 0.00 C ATOM 698 CG ASP A 65 -1.745 -1.860 1.241 1.00 0.00 C ATOM 699 OD1 ASP A 65 -1.813 -2.261 2.423 1.00 0.00 O ATOM 700 OD2 ASP A 65 -1.870 -2.567 0.217 1.00 0.00 O ATOM 0 H ASP A 65 -1.860 2.335 0.783 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.430 0.059 1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.508 -0.160 -0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.479 -0.136 1.375 1.00 0.00 H new ATOM 704 N GLN A 66 -1.269 -0.038 3.726 1.00 0.00 N ATOM 705 CA GLN A 66 -0.660 0.178 5.028 1.00 0.00 C ATOM 706 C GLN A 66 0.757 0.731 4.866 1.00 0.00 C ATOM 707 O GLN A 66 1.453 0.964 5.853 1.00 0.00 O ATOM 708 CB GLN A 66 -0.656 -1.110 5.852 1.00 0.00 C ATOM 709 CG GLN A 66 -1.864 -1.167 6.788 1.00 0.00 C ATOM 710 CD GLN A 66 -1.706 -2.285 7.820 1.00 0.00 C ATOM 711 OE1 GLN A 66 -1.399 -3.421 7.501 1.00 0.00 O ATOM 712 NE2 GLN A 66 -1.933 -1.900 9.073 1.00 0.00 N ATOM 0 H GLN A 66 -1.181 -0.989 3.367 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.256 0.913 5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.667 -1.972 5.185 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.263 -1.170 6.435 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.979 -0.210 7.298 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.772 -1.330 6.207 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.187 -0.932 9.271 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.853 -2.573 9.836 1.00 0.00 H new ATOM 719 N ILE A 67 1.144 0.924 3.613 1.00 0.00 N ATOM 720 CA ILE A 67 2.466 1.445 3.309 1.00 0.00 C ATOM 721 C ILE A 67 2.328 2.812 2.637 1.00 0.00 C ATOM 722 O ILE A 67 3.079 3.133 1.717 1.00 0.00 O ATOM 723 CB ILE A 67 3.264 0.431 2.486 1.00 0.00 C ATOM 724 CG1 ILE A 67 2.332 -0.496 1.705 1.00 0.00 C ATOM 725 CG2 ILE A 67 4.238 -0.348 3.371 1.00 0.00 C ATOM 726 CD1 ILE A 67 3.097 -1.253 0.617 1.00 0.00 C ATOM 0 H ILE A 67 0.565 0.729 2.797 1.00 0.00 H new ATOM 0 HA ILE A 67 3.037 1.597 4.225 1.00 0.00 H new ATOM 0 HB ILE A 67 3.860 0.978 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.865 -1.206 2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.530 0.086 1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.792 -1.062 2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.935 0.345 3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.682 -0.883 4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.411 -1.905 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.543 -0.541 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.883 -1.853 1.075 1.00 0.00 H new ATOM 737 N GLY A 68 1.363 3.580 3.122 1.00 0.00 N ATOM 738 CA GLY A 68 1.118 4.906 2.579 1.00 0.00 C ATOM 739 C GLY A 68 1.364 4.934 1.069 1.00 0.00 C ATOM 740 O GLY A 68 2.066 5.811 0.567 1.00 0.00 O ATOM 0 H GLY A 68 0.742 3.310 3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.091 5.205 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.768 5.630 3.070 1.00 0.00 H new ATOM 744 N THR A 69 0.772 3.965 0.387 1.00 0.00 N ATOM 745 CA THR A 69 0.918 3.867 -1.055 1.00 0.00 C ATOM 746 C THR A 69 -0.426 4.108 -1.745 1.00 0.00 C ATOM 747 O THR A 69 -1.150 3.161 -2.049 1.00 0.00 O ATOM 748 CB THR A 69 1.530 2.503 -1.378 1.00 0.00 C ATOM 749 OG1 THR A 69 1.114 1.671 -0.298 1.00 0.00 O ATOM 750 CG2 THR A 69 3.057 2.507 -1.277 1.00 0.00 C ATOM 0 H THR A 69 0.190 3.240 0.807 1.00 0.00 H new ATOM 0 HA THR A 69 1.587 4.638 -1.437 1.00 0.00 H new ATOM 0 HB THR A 69 1.233 2.201 -2.383 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.010 0.750 -0.616 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.440 1.515 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.466 3.233 -1.980 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.354 2.776 -0.263 1.00 0.00 H new ATOM 758 N CYS A 70 -0.720 5.380 -1.970 1.00 0.00 N ATOM 759 CA CYS A 70 -1.965 5.757 -2.618 1.00 0.00 C ATOM 760 C CYS A 70 -1.870 5.378 -4.097 1.00 0.00 C ATOM 761 O CYS A 70 -1.012 5.884 -4.818 1.00 0.00 O ATOM 762 CB CYS A 70 -2.274 7.244 -2.428 1.00 0.00 C ATOM 763 SG CYS A 70 -3.863 7.795 -3.148 1.00 0.00 S ATOM 0 H CYS A 70 -0.118 6.163 -1.715 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.795 5.220 -2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.278 7.466 -1.361 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.468 7.828 -2.872 1.00 0.00 H new ATOM 0 HG CYS A 70 -4.022 9.066 -2.927 1.00 0.00 H new ATOM 767 N TRP A 71 -2.766 4.490 -4.506 1.00 0.00 N ATOM 768 CA TRP A 71 -2.795 4.038 -5.886 1.00 0.00 C ATOM 769 C TRP A 71 -4.070 4.579 -6.535 1.00 0.00 C ATOM 770 O TRP A 71 -5.174 4.296 -6.073 1.00 0.00 O ATOM 771 CB TRP A 71 -2.683 2.515 -5.966 1.00 0.00 C ATOM 772 CG TRP A 71 -1.529 1.931 -5.149 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.587 1.315 -3.960 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.131 1.934 -5.512 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.336 0.922 -3.532 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.579 1.310 -4.505 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.512 2.445 -6.652 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.967 1.141 -4.538 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.900 2.269 -6.669 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.629 1.644 -5.664 1.00 0.00 C ATOM 0 H TRP A 71 -3.477 4.072 -3.905 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.936 4.422 -6.436 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.618 2.074 -5.621 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.559 2.225 -7.009 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.499 1.147 -3.406 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.121 0.436 -2.661 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.023 2.935 -7.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.499 0.649 -3.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.443 2.645 -7.523 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.701 1.547 -5.752 1.00 0.00 H new ATOM 790 N PRO A 72 -3.871 5.369 -7.624 1.00 0.00 N ATOM 791 CA PRO A 72 -4.992 5.952 -8.340 1.00 0.00 C ATOM 792 C PRO A 72 -5.706 4.900 -9.191 1.00 0.00 C ATOM 793 O PRO A 72 -5.102 3.907 -9.595 1.00 0.00 O ATOM 794 CB PRO A 72 -4.389 7.074 -9.169 1.00 0.00 C ATOM 795 CG PRO A 72 -2.899 6.782 -9.244 1.00 0.00 C ATOM 796 CD PRO A 72 -2.578 5.725 -8.200 1.00 0.00 C ATOM 0 HA PRO A 72 -5.762 6.337 -7.672 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.832 7.105 -10.165 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.574 8.044 -8.707 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.629 6.430 -10.239 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.323 7.688 -9.059 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.093 4.859 -8.650 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.899 6.112 -7.440 1.00 0.00 H new ATOM 801 N GLN A 73 -6.984 5.151 -9.438 1.00 0.00 N ATOM 802 CA GLN A 73 -7.787 4.238 -10.233 1.00 0.00 C ATOM 803 C GLN A 73 -6.953 3.657 -11.378 1.00 0.00 C ATOM 804 O GLN A 73 -6.030 4.304 -11.869 1.00 0.00 O ATOM 805 CB GLN A 73 -9.042 4.933 -10.766 1.00 0.00 C ATOM 806 CG GLN A 73 -9.937 5.403 -9.618 1.00 0.00 C ATOM 807 CD GLN A 73 -11.373 4.910 -9.807 1.00 0.00 C ATOM 808 OE1 GLN A 73 -11.640 3.948 -10.508 1.00 0.00 O ATOM 809 NE2 GLN A 73 -12.280 5.623 -9.144 1.00 0.00 N ATOM 0 H GLN A 73 -7.483 5.974 -9.101 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.111 3.418 -9.593 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.756 5.786 -11.382 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.597 4.248 -11.408 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.544 5.034 -8.671 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.926 6.492 -9.566 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.988 6.417 -8.575 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.268 5.375 -9.205 1.00 0.00 H new ATOM 816 N SER A 74 -7.310 2.443 -11.769 1.00 0.00 N ATOM 817 CA SER A 74 -6.607 1.768 -12.847 1.00 0.00 C ATOM 818 C SER A 74 -7.499 0.686 -13.457 1.00 0.00 C ATOM 819 O SER A 74 -8.560 0.374 -12.917 1.00 0.00 O ATOM 820 CB SER A 74 -5.295 1.156 -12.351 1.00 0.00 C ATOM 821 OG SER A 74 -4.698 1.938 -11.319 1.00 0.00 O ATOM 0 H SER A 74 -8.076 1.909 -11.359 1.00 0.00 H new ATOM 0 HA SER A 74 -6.366 2.506 -13.612 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.482 0.148 -11.980 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.599 1.064 -13.185 1.00 0.00 H new ATOM 0 HG SER A 74 -4.290 1.345 -10.654 1.00 0.00 H new ATOM 826 N ALA A 75 -7.037 0.142 -14.574 1.00 0.00 N ATOM 827 CA ALA A 75 -7.781 -0.899 -15.263 1.00 0.00 C ATOM 828 C ALA A 75 -7.576 -2.231 -14.538 1.00 0.00 C ATOM 829 O ALA A 75 -6.566 -2.426 -13.865 1.00 0.00 O ATOM 830 CB ALA A 75 -7.340 -0.957 -16.727 1.00 0.00 C ATOM 0 H ALA A 75 -6.157 0.403 -15.019 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.849 -0.680 -15.253 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.898 -1.738 -17.244 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.534 0.004 -17.204 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.274 -1.179 -16.777 1.00 0.00 H new ATOM 836 N PRO A 76 -8.577 -3.136 -14.706 1.00 0.00 N ATOM 837 CA PRO A 76 -8.517 -4.444 -14.076 1.00 0.00 C ATOM 838 C PRO A 76 -7.524 -5.356 -14.800 1.00 0.00 C ATOM 839 O PRO A 76 -7.327 -5.230 -16.008 1.00 0.00 O ATOM 840 CB PRO A 76 -9.943 -4.967 -14.118 1.00 0.00 C ATOM 841 CG PRO A 76 -10.658 -4.144 -15.177 1.00 0.00 C ATOM 842 CD PRO A 76 -9.789 -2.940 -15.497 1.00 0.00 C ATOM 0 HA PRO A 76 -8.153 -4.400 -13.049 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.963 -6.028 -14.369 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.427 -4.860 -13.147 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.829 -4.741 -16.073 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.636 -3.824 -14.816 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.562 -2.887 -16.562 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.289 -2.009 -15.231 1.00 0.00 H new ATOM 847 N GLY A 77 -6.925 -6.253 -14.031 1.00 0.00 N ATOM 848 CA GLY A 77 -5.957 -7.187 -14.585 1.00 0.00 C ATOM 849 C GLY A 77 -4.654 -6.472 -14.947 1.00 0.00 C ATOM 850 O GLY A 77 -3.874 -6.970 -15.759 1.00 0.00 O ATOM 0 H GLY A 77 -7.090 -6.354 -13.030 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.754 -7.978 -13.863 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.373 -7.665 -15.472 1.00 0.00 H new ATOM 854 N ALA A 78 -4.456 -5.317 -14.329 1.00 0.00 N ATOM 855 CA ALA A 78 -3.261 -4.530 -14.577 1.00 0.00 C ATOM 856 C ALA A 78 -2.189 -4.901 -13.550 1.00 0.00 C ATOM 857 O ALA A 78 -2.269 -5.952 -12.915 1.00 0.00 O ATOM 858 CB ALA A 78 -3.612 -3.041 -14.542 1.00 0.00 C ATOM 0 H ALA A 78 -5.104 -4.907 -13.656 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.858 -4.746 -15.567 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.715 -2.451 -14.728 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.355 -2.824 -15.310 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.017 -2.786 -13.563 1.00 0.00 H new ATOM 864 N LEU A 79 -1.212 -4.016 -13.416 1.00 0.00 N ATOM 865 CA LEU A 79 -0.126 -4.236 -12.476 1.00 0.00 C ATOM 866 C LEU A 79 0.641 -2.929 -12.272 1.00 0.00 C ATOM 867 O LEU A 79 1.367 -2.485 -13.159 1.00 0.00 O ATOM 868 CB LEU A 79 0.755 -5.400 -12.938 1.00 0.00 C ATOM 869 CG LEU A 79 0.344 -6.789 -12.449 1.00 0.00 C ATOM 870 CD1 LEU A 79 -0.061 -7.686 -13.619 1.00 0.00 C ATOM 871 CD2 LEU A 79 1.449 -7.419 -11.598 1.00 0.00 C ATOM 0 H LEU A 79 -1.150 -3.145 -13.943 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.519 -4.530 -11.503 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.767 -5.410 -14.028 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.777 -5.209 -12.609 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.533 -6.681 -11.810 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.349 -8.668 -13.242 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.904 -7.238 -14.146 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.780 -7.792 -14.304 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.132 -8.406 -11.263 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.358 -7.512 -12.193 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.646 -6.787 -10.732 1.00 0.00 H new ATOM 882 N VAL A 80 0.451 -2.347 -11.097 1.00 0.00 N ATOM 883 CA VAL A 80 1.115 -1.098 -10.765 1.00 0.00 C ATOM 884 C VAL A 80 2.501 -1.398 -10.192 1.00 0.00 C ATOM 885 O VAL A 80 2.838 -0.941 -9.100 1.00 0.00 O ATOM 886 CB VAL A 80 0.240 -0.277 -9.814 1.00 0.00 C ATOM 887 CG1 VAL A 80 1.024 0.898 -9.225 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.029 0.208 -10.517 1.00 0.00 C ATOM 0 H VAL A 80 -0.153 -2.717 -10.363 1.00 0.00 H new ATOM 0 HA VAL A 80 1.258 -0.492 -11.660 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.061 -0.926 -8.991 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.380 1.465 -8.553 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.884 0.521 -8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.368 1.546 -10.031 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.632 0.788 -9.819 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.757 0.832 -11.368 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.603 -0.651 -10.865 1.00 0.00 H new ATOM 898 N GLU A 81 3.267 -2.165 -10.954 1.00 0.00 N ATOM 899 CA GLU A 81 4.610 -2.532 -10.536 1.00 0.00 C ATOM 900 C GLU A 81 5.578 -1.375 -10.785 1.00 0.00 C ATOM 901 O GLU A 81 5.423 -0.626 -11.748 1.00 0.00 O ATOM 902 CB GLU A 81 5.077 -3.802 -11.249 1.00 0.00 C ATOM 903 CG GLU A 81 3.983 -4.871 -11.239 1.00 0.00 C ATOM 904 CD GLU A 81 4.107 -5.794 -12.453 1.00 0.00 C ATOM 905 OE1 GLU A 81 3.760 -5.326 -13.560 1.00 0.00 O ATOM 906 OE2 GLU A 81 4.546 -6.946 -12.249 1.00 0.00 O ATOM 0 H GLU A 81 2.984 -2.542 -11.858 1.00 0.00 H new ATOM 0 HA GLU A 81 4.593 -2.741 -9.466 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.350 -3.566 -12.277 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.972 -4.188 -10.762 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.051 -5.458 -10.323 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.003 -4.394 -11.239 1.00 0.00 H new ATOM 911 N ARG A 82 6.559 -1.264 -9.900 1.00 0.00 N ATOM 912 CA ARG A 82 7.552 -0.210 -10.011 1.00 0.00 C ATOM 913 C ARG A 82 8.786 -0.554 -9.175 1.00 0.00 C ATOM 914 O ARG A 82 8.687 -0.737 -7.962 1.00 0.00 O ATOM 915 CB ARG A 82 6.987 1.133 -9.545 1.00 0.00 C ATOM 916 CG ARG A 82 5.814 1.569 -10.427 1.00 0.00 C ATOM 917 CD ARG A 82 5.419 3.018 -10.135 1.00 0.00 C ATOM 918 NE ARG A 82 3.945 3.155 -10.152 1.00 0.00 N ATOM 919 CZ ARG A 82 3.201 3.122 -11.266 1.00 0.00 C ATOM 920 NH1 ARG A 82 3.787 2.957 -12.460 1.00 0.00 N ATOM 921 NH2 ARG A 82 1.870 3.253 -11.186 1.00 0.00 N ATOM 0 H ARG A 82 6.687 -1.887 -9.103 1.00 0.00 H new ATOM 0 HA ARG A 82 7.831 -0.128 -11.061 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.658 1.054 -8.509 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.770 1.891 -9.574 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.086 1.467 -11.477 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.961 0.913 -10.254 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.809 3.321 -9.163 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.863 3.681 -10.878 1.00 0.00 H new ATOM 0 HE ARG A 82 3.466 3.282 -9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.800 2.856 -12.521 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.220 2.932 -13.307 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.424 3.378 -10.277 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.303 3.228 -12.034 1.00 0.00 H new ATOM 1166 N ALA A 99 7.877 -1.173 -5.711 1.00 0.00 N ATOM 1167 CA ALA A 99 6.530 -1.708 -5.612 1.00 0.00 C ATOM 1168 C ALA A 99 6.406 -2.938 -6.513 1.00 0.00 C ATOM 1169 O ALA A 99 7.381 -3.354 -7.138 1.00 0.00 O ATOM 1170 CB ALA A 99 5.519 -0.618 -5.972 1.00 0.00 C ATOM 0 HA ALA A 99 6.318 -2.025 -4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.509 -1.020 -5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.628 0.220 -5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.699 -0.277 -6.991 1.00 0.00 H new ATOM 1176 N TYR A 100 5.201 -3.486 -6.552 1.00 0.00 N ATOM 1177 CA TYR A 100 4.938 -4.660 -7.366 1.00 0.00 C ATOM 1178 C TYR A 100 3.591 -5.289 -7.003 1.00 0.00 C ATOM 1179 O TYR A 100 3.533 -6.448 -6.596 1.00 0.00 O ATOM 1180 CB TYR A 100 6.055 -5.655 -7.045 1.00 0.00 C ATOM 1181 CG TYR A 100 6.951 -5.990 -8.238 1.00 0.00 C ATOM 1182 CD1 TYR A 100 6.402 -6.528 -9.385 1.00 0.00 C ATOM 1183 CD2 TYR A 100 8.310 -5.755 -8.168 1.00 0.00 C ATOM 1184 CE1 TYR A 100 7.246 -6.843 -10.508 1.00 0.00 C ATOM 1185 CE2 TYR A 100 9.154 -6.071 -9.292 1.00 0.00 C ATOM 1186 CZ TYR A 100 8.581 -6.599 -10.406 1.00 0.00 C ATOM 1187 OH TYR A 100 9.378 -6.897 -11.466 1.00 0.00 O ATOM 0 H TYR A 100 4.395 -3.138 -6.032 1.00 0.00 H new ATOM 0 HA TYR A 100 4.906 -4.394 -8.423 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.671 -5.247 -6.244 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.610 -6.576 -6.668 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.339 -6.713 -9.440 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.740 -5.334 -7.271 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.829 -7.264 -11.411 1.00 0.00 H new ATOM 0 HE2 TYR A 100 10.218 -5.892 -9.251 1.00 0.00 H new ATOM 0 HH TYR A 100 10.307 -6.669 -11.251 1.00 0.00 H new ATOM 1196 N ARG A 101 2.542 -4.496 -7.163 1.00 0.00 N ATOM 1197 CA ARG A 101 1.199 -4.960 -6.856 1.00 0.00 C ATOM 1198 C ARG A 101 0.506 -5.455 -8.128 1.00 0.00 C ATOM 1199 O ARG A 101 1.009 -5.252 -9.232 1.00 0.00 O ATOM 1200 CB ARG A 101 0.361 -3.846 -6.227 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.407 -4.360 -5.008 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.797 -3.726 -4.928 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.193 -3.551 -3.513 1.00 0.00 N ATOM 1204 CZ ARG A 101 -3.067 -2.629 -3.086 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -3.641 -1.793 -3.961 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.366 -2.543 -1.782 1.00 0.00 N ATOM 0 H ARG A 101 2.594 -3.535 -7.501 1.00 0.00 H new ATOM 0 HA ARG A 101 1.286 -5.779 -6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.009 -3.021 -5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.340 -3.453 -6.964 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.501 -5.445 -5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.152 -4.135 -4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.795 -2.761 -5.436 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.523 -4.356 -5.442 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.775 -4.171 -2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.413 -1.858 -4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.306 -1.092 -3.635 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.928 -3.179 -1.115 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.031 -1.841 -1.456 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.638 -6.092 -7.930 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.406 -6.616 -9.046 1.00 0.00 C ATOM 1219 C GLU A 102 -2.876 -6.212 -8.917 1.00 0.00 C ATOM 1220 O GLU A 102 -3.368 -5.994 -7.810 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.262 -8.136 -9.146 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.607 -8.807 -7.815 1.00 0.00 C ATOM 1223 CD GLU A 102 -0.926 -10.172 -7.697 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -1.214 -11.027 -8.563 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -0.133 -10.331 -6.744 1.00 0.00 O ATOM 0 H GLU A 102 -1.052 -6.257 -7.013 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.011 -6.185 -9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.917 -8.516 -9.930 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.241 -8.390 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.294 -8.168 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.687 -8.927 -7.733 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.537 -6.125 -10.062 1.00 0.00 N ATOM 1231 CA CYS A 103 -4.940 -5.751 -10.090 1.00 0.00 C ATOM 1232 C CYS A 103 -5.737 -6.918 -10.675 1.00 0.00 C ATOM 1233 O CYS A 103 -5.400 -7.432 -11.741 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.166 -4.456 -10.874 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.048 -3.145 -9.952 1.00 0.00 S ATOM 0 H CYS A 103 -3.126 -6.307 -10.978 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.284 -5.549 -9.076 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.199 -4.068 -11.194 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -5.731 -4.688 -11.777 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.778 -7.304 -9.954 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.626 -8.402 -10.388 1.00 0.00 C ATOM 1241 C LEU A 104 -8.434 -7.963 -11.611 1.00 0.00 C ATOM 1242 O LEU A 104 -8.539 -6.770 -11.895 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.487 -8.905 -9.229 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.985 -10.162 -8.516 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.916 -10.547 -7.364 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -7.791 -11.313 -9.505 1.00 0.00 C ATOM 0 H LEU A 104 -7.055 -6.876 -9.071 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.019 -9.254 -10.695 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.575 -8.105 -8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.490 -9.102 -9.607 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.009 -9.942 -8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.537 -11.444 -6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.960 -9.730 -6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.915 -10.742 -7.753 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.434 -12.194 -8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.741 -11.541 -9.988 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.060 -11.024 -10.260 1.00 0.00 H new ATOM 1257 N GLU A 105 -8.987 -8.950 -12.301 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.782 -8.680 -13.487 1.00 0.00 C ATOM 1259 C GLU A 105 -11.201 -8.265 -13.090 1.00 0.00 C ATOM 1260 O GLU A 105 -12.042 -8.016 -13.952 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.807 -9.893 -14.418 1.00 0.00 C ATOM 1262 CG GLU A 105 -9.932 -9.460 -15.880 1.00 0.00 C ATOM 1263 CD GLU A 105 -9.630 -10.625 -16.825 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -8.464 -11.074 -16.817 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -10.572 -11.039 -17.534 1.00 0.00 O ATOM 0 H GLU A 105 -8.900 -9.938 -12.061 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.321 -7.856 -14.031 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.896 -10.477 -14.285 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.643 -10.541 -14.154 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.939 -9.087 -16.068 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.245 -8.638 -16.079 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.422 -8.203 -11.785 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.723 -7.822 -11.264 1.00 0.00 C ATOM 1272 C ASN A 106 -12.707 -6.335 -10.902 1.00 0.00 C ATOM 1273 O ASN A 106 -13.714 -5.793 -10.447 1.00 0.00 O ATOM 1274 CB ASN A 106 -13.063 -8.612 -9.999 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.488 -9.166 -10.066 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.379 -8.747 -9.344 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.654 -10.129 -10.968 1.00 0.00 N ATOM 0 H ASN A 106 -10.722 -8.410 -11.073 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.468 -8.032 -12.032 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.355 -9.432 -9.877 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.960 -7.969 -9.125 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.569 -10.564 -11.088 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.866 -10.433 -11.540 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.555 -5.718 -11.118 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.396 -4.305 -10.820 1.00 0.00 C ATOM 1285 C GLY A 107 -11.111 -4.087 -9.332 1.00 0.00 C ATOM 1286 O GLY A 107 -11.807 -3.318 -8.670 1.00 0.00 O ATOM 0 H GLY A 107 -10.723 -6.171 -11.496 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.580 -3.894 -11.414 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.300 -3.766 -11.104 1.00 0.00 H new ATOM 1290 N THR A 108 -10.087 -4.776 -8.851 1.00 0.00 N ATOM 1291 CA THR A 108 -9.703 -4.667 -7.454 1.00 0.00 C ATOM 1292 C THR A 108 -8.185 -4.804 -7.307 1.00 0.00 C ATOM 1293 O THR A 108 -7.485 -5.069 -8.282 1.00 0.00 O ATOM 1294 CB THR A 108 -10.486 -5.717 -6.664 1.00 0.00 C ATOM 1295 OG1 THR A 108 -9.507 -6.323 -5.825 1.00 0.00 O ATOM 1296 CG2 THR A 108 -10.981 -6.866 -7.548 1.00 0.00 C ATOM 0 H THR A 108 -9.512 -5.412 -9.403 1.00 0.00 H new ATOM 0 HA THR A 108 -9.951 -3.685 -7.051 1.00 0.00 H new ATOM 0 HB THR A 108 -11.336 -5.242 -6.174 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.930 -7.016 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.530 -7.583 -6.938 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.637 -6.471 -8.324 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.128 -7.362 -8.012 1.00 0.00 H new ATOM 1304 N TRP A 109 -7.723 -4.616 -6.079 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.303 -4.715 -5.792 1.00 0.00 C ATOM 1306 C TRP A 109 -6.071 -5.997 -4.990 1.00 0.00 C ATOM 1307 O TRP A 109 -6.979 -6.813 -4.840 1.00 0.00 O ATOM 1308 CB TRP A 109 -5.799 -3.461 -5.073 1.00 0.00 C ATOM 1309 CG TRP A 109 -5.842 -2.194 -5.931 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.611 -1.110 -5.763 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -5.046 -1.923 -7.103 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.370 -0.163 -6.737 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.387 -0.673 -7.578 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -4.069 -2.707 -7.740 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.801 -0.097 -8.711 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.492 -2.117 -8.872 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.826 -0.860 -9.363 1.00 0.00 C ATOM 0 H TRP A 109 -8.307 -4.396 -5.272 1.00 0.00 H new ATOM 0 HA TRP A 109 -5.727 -4.772 -6.715 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.399 -3.302 -4.177 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.774 -3.630 -4.744 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.329 -0.992 -4.965 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.828 0.744 -6.824 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.785 -3.687 -7.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.086 0.883 -9.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.735 -2.678 -9.400 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -3.335 -0.474 -10.244 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.849 -6.136 -4.495 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.486 -7.304 -3.711 1.00 0.00 C ATOM 1329 C ALA A 110 -4.433 -6.924 -2.231 1.00 0.00 C ATOM 1330 O ALA A 110 -4.668 -5.770 -1.873 1.00 0.00 O ATOM 1331 CB ALA A 110 -3.156 -7.865 -4.218 1.00 0.00 C ATOM 0 H ALA A 110 -4.098 -5.458 -4.622 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.234 -8.089 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.883 -8.741 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.256 -8.148 -5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.380 -7.106 -4.120 1.00 0.00 H new ATOM 1337 N SER A 111 -4.123 -7.916 -1.408 1.00 0.00 N ATOM 1338 CA SER A 111 -4.035 -7.700 0.025 1.00 0.00 C ATOM 1339 C SER A 111 -2.993 -6.623 0.331 1.00 0.00 C ATOM 1340 O SER A 111 -3.269 -5.675 1.064 1.00 0.00 O ATOM 1341 CB SER A 111 -3.688 -8.997 0.758 1.00 0.00 C ATOM 1342 OG SER A 111 -4.646 -10.022 0.511 1.00 0.00 O ATOM 0 H SER A 111 -3.930 -8.872 -1.708 1.00 0.00 H new ATOM 0 HA SER A 111 -5.010 -7.364 0.379 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.702 -9.339 0.443 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.631 -8.804 1.829 1.00 0.00 H new ATOM 0 HG SER A 111 -4.388 -10.834 0.995 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.814 -6.804 -0.249 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.729 -5.860 -0.049 1.00 0.00 C ATOM 1349 C ARG A 112 0.314 -6.006 -1.159 1.00 0.00 C ATOM 1350 O ARG A 112 0.425 -7.066 -1.774 1.00 0.00 O ATOM 1351 CB ARG A 112 -0.054 -6.075 1.307 1.00 0.00 C ATOM 1352 CG ARG A 112 -0.438 -4.971 2.293 1.00 0.00 C ATOM 1353 CD ARG A 112 0.777 -4.508 3.100 1.00 0.00 C ATOM 1354 NE ARG A 112 1.115 -5.519 4.128 1.00 0.00 N ATOM 1355 CZ ARG A 112 2.130 -5.398 4.994 1.00 0.00 C ATOM 1356 NH1 ARG A 112 2.913 -4.310 4.962 1.00 0.00 N ATOM 1357 NH2 ARG A 112 2.364 -6.365 5.892 1.00 0.00 N ATOM 0 H ARG A 112 -1.588 -7.591 -0.857 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.154 -4.857 -0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.343 -7.045 1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.028 -6.093 1.179 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.862 -4.126 1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.211 -5.336 2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.628 -4.353 2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.565 -3.550 3.575 1.00 0.00 H new ATOM 0 HE ARG A 112 0.539 -6.359 4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.736 -3.574 4.278 1.00 0.00 H new ATOM 0 HH12 ARG A 112 3.686 -4.218 5.621 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.769 -7.193 5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 112 3.137 -6.273 6.551 1.00 0.00 H new ATOM 1368 N VAL A 113 1.052 -4.929 -1.381 1.00 0.00 N ATOM 1369 CA VAL A 113 2.081 -4.924 -2.405 1.00 0.00 C ATOM 1370 C VAL A 113 3.207 -5.876 -1.995 1.00 0.00 C ATOM 1371 O VAL A 113 3.547 -5.969 -0.816 1.00 0.00 O ATOM 1372 CB VAL A 113 2.567 -3.495 -2.654 1.00 0.00 C ATOM 1373 CG1 VAL A 113 3.248 -3.377 -4.019 1.00 0.00 C ATOM 1374 CG2 VAL A 113 1.416 -2.495 -2.526 1.00 0.00 C ATOM 0 H VAL A 113 0.957 -4.052 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 113 1.679 -5.284 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 113 3.306 -3.254 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.584 -2.351 -4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.105 -4.049 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.541 -3.647 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.788 -1.487 -2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.644 -2.734 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.995 -2.551 -1.522 1.00 0.00 H new