USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=11 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 Single : A 58 THR OG1 : rot 35:sc= 0.738 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.63! C(o=-1.6!,f=-1.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -2.07! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.504 K(o=0.5,f=-3.1!) USER MOD Single : A 69 THR OG1 : rot 150:sc= 0.289 USER MOD Single : A 70 CYS SG : rot 180:sc= -1.5 USER MOD Single : A 73 GLN :FLIP amide:sc= -2.04! C(o=-3.6!,f=-2!) USER MOD Single : A 74 SER OG : rot 138:sc= 0.971 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.219 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -15.831 -0.475 -12.458 1.00 0.00 N ATOM 592 CA THR A 58 -15.361 -1.778 -12.021 1.00 0.00 C ATOM 593 C THR A 58 -13.846 -1.887 -12.202 1.00 0.00 C ATOM 594 O THR A 58 -13.326 -2.968 -12.476 1.00 0.00 O ATOM 595 CB THR A 58 -16.143 -2.846 -12.788 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.482 -2.359 -12.793 1.00 0.00 O ATOM 597 CG2 THR A 58 -16.230 -4.170 -12.027 1.00 0.00 C ATOM 0 HA THR A 58 -15.541 -1.926 -10.956 1.00 0.00 H new ATOM 0 HB THR A 58 -15.671 -3.015 -13.756 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.474 -1.381 -12.856 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.795 -4.892 -12.616 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.226 -4.554 -11.849 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.731 -4.009 -11.073 1.00 0.00 H new ATOM 605 N TYR A 59 -13.180 -0.752 -12.045 1.00 0.00 N ATOM 606 CA TYR A 59 -11.734 -0.707 -12.188 1.00 0.00 C ATOM 607 C TYR A 59 -11.071 -0.212 -10.902 1.00 0.00 C ATOM 608 O TYR A 59 -11.636 0.614 -10.185 1.00 0.00 O ATOM 609 CB TYR A 59 -11.454 0.295 -13.310 1.00 0.00 C ATOM 610 CG TYR A 59 -11.868 1.730 -12.981 1.00 0.00 C ATOM 611 CD1 TYR A 59 -13.142 2.167 -13.283 1.00 0.00 C ATOM 612 CD2 TYR A 59 -10.968 2.588 -12.384 1.00 0.00 C ATOM 613 CE1 TYR A 59 -13.532 3.518 -12.973 1.00 0.00 C ATOM 614 CE2 TYR A 59 -11.358 3.940 -12.074 1.00 0.00 C ATOM 615 CZ TYR A 59 -12.620 4.338 -12.384 1.00 0.00 C ATOM 616 OH TYR A 59 -12.989 5.615 -12.092 1.00 0.00 O ATOM 0 H TYR A 59 -13.615 0.143 -11.820 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.338 -1.699 -12.404 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.389 0.279 -13.540 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.979 -0.026 -14.209 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.846 1.496 -13.752 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.971 2.246 -12.149 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -14.526 3.872 -13.203 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.663 4.622 -11.606 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.238 6.085 -11.673 1.00 0.00 H new ATOM 625 N CYS A 60 -9.882 -0.737 -10.647 1.00 0.00 N ATOM 626 CA CYS A 60 -9.135 -0.359 -9.458 1.00 0.00 C ATOM 627 C CYS A 60 -9.211 1.161 -9.307 1.00 0.00 C ATOM 628 O CYS A 60 -8.924 1.897 -10.251 1.00 0.00 O ATOM 629 CB CYS A 60 -7.690 -0.856 -9.517 1.00 0.00 C ATOM 630 SG CYS A 60 -7.492 -2.575 -10.113 1.00 0.00 S ATOM 0 H CYS A 60 -9.417 -1.421 -11.243 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.577 -0.832 -8.581 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.119 -0.193 -10.167 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.253 -0.779 -8.521 1.00 0.00 H new ATOM 634 N ASN A 61 -9.598 1.588 -8.114 1.00 0.00 N ATOM 635 CA ASN A 61 -9.713 3.007 -7.828 1.00 0.00 C ATOM 636 C ASN A 61 -8.586 3.427 -6.883 1.00 0.00 C ATOM 637 O ASN A 61 -7.919 2.578 -6.292 1.00 0.00 O ATOM 638 CB ASN A 61 -11.045 3.324 -7.144 1.00 0.00 C ATOM 639 CG ASN A 61 -11.239 4.835 -6.997 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.016 5.416 -5.947 1.00 0.00 O ATOM 641 ND2 ASN A 61 -11.668 5.436 -8.103 1.00 0.00 N ATOM 0 H ASN A 61 -9.836 0.975 -7.334 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.654 3.547 -8.773 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.866 2.903 -7.725 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.075 2.852 -6.162 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.830 6.443 -8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.835 4.890 -8.948 1.00 0.00 H new ATOM 647 N THR A 62 -8.408 4.735 -6.770 1.00 0.00 N ATOM 648 CA THR A 62 -7.372 5.277 -5.906 1.00 0.00 C ATOM 649 C THR A 62 -7.668 4.939 -4.443 1.00 0.00 C ATOM 650 O THR A 62 -8.723 5.294 -3.921 1.00 0.00 O ATOM 651 CB THR A 62 -7.271 6.779 -6.174 1.00 0.00 C ATOM 652 OG1 THR A 62 -6.896 6.862 -7.547 1.00 0.00 O ATOM 653 CG2 THR A 62 -6.105 7.431 -5.429 1.00 0.00 C ATOM 0 H THR A 62 -8.963 5.435 -7.262 1.00 0.00 H new ATOM 0 HA THR A 62 -6.402 4.828 -6.121 1.00 0.00 H new ATOM 0 HB THR A 62 -8.203 7.263 -5.882 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.810 7.803 -7.806 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.080 8.497 -5.655 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.235 7.290 -4.356 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.169 6.971 -5.745 1.00 0.00 H new ATOM 661 N THR A 63 -6.716 4.258 -3.822 1.00 0.00 N ATOM 662 CA THR A 63 -6.860 3.869 -2.430 1.00 0.00 C ATOM 663 C THR A 63 -5.495 3.845 -1.739 1.00 0.00 C ATOM 664 O THR A 63 -4.463 3.741 -2.399 1.00 0.00 O ATOM 665 CB THR A 63 -7.586 2.523 -2.388 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.231 2.517 -1.117 1.00 0.00 O ATOM 667 CG2 THR A 63 -6.621 1.339 -2.323 1.00 0.00 C ATOM 0 H THR A 63 -5.841 3.966 -4.258 1.00 0.00 H new ATOM 0 HA THR A 63 -7.457 4.594 -1.876 1.00 0.00 H new ATOM 0 HB THR A 63 -8.221 2.425 -3.269 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.728 1.679 -1.006 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.188 0.409 -2.295 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.977 1.345 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.009 1.418 -1.425 1.00 0.00 H new ATOM 675 N LEU A 64 -5.534 3.943 -0.418 1.00 0.00 N ATOM 676 CA LEU A 64 -4.313 3.933 0.370 1.00 0.00 C ATOM 677 C LEU A 64 -3.994 2.497 0.789 1.00 0.00 C ATOM 678 O LEU A 64 -4.894 1.732 1.133 1.00 0.00 O ATOM 679 CB LEU A 64 -4.427 4.906 1.546 1.00 0.00 C ATOM 680 CG LEU A 64 -5.415 4.516 2.646 1.00 0.00 C ATOM 681 CD1 LEU A 64 -4.683 3.937 3.859 1.00 0.00 C ATOM 682 CD2 LEU A 64 -6.307 5.699 3.027 1.00 0.00 C ATOM 0 H LEU A 64 -6.392 4.030 0.126 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.471 4.286 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.440 5.019 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.714 5.883 1.157 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.067 3.733 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.408 3.668 4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.126 3.050 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.993 4.681 4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.000 5.394 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.688 6.520 3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.869 6.027 2.153 1.00 0.00 H new ATOM 693 N ASP A 65 -2.710 2.175 0.747 1.00 0.00 N ATOM 694 CA ASP A 65 -2.260 0.843 1.119 1.00 0.00 C ATOM 695 C ASP A 65 -1.861 0.838 2.597 1.00 0.00 C ATOM 696 O ASP A 65 -2.095 1.814 3.310 1.00 0.00 O ATOM 697 CB ASP A 65 -1.037 0.426 0.299 1.00 0.00 C ATOM 698 CG ASP A 65 -0.895 -1.079 0.071 1.00 0.00 C ATOM 699 OD1 ASP A 65 -1.767 -1.632 -0.635 1.00 0.00 O ATOM 700 OD2 ASP A 65 0.082 -1.646 0.607 1.00 0.00 O ATOM 0 H ASP A 65 -1.967 2.812 0.461 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.077 0.146 0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.082 0.923 -0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.140 0.788 0.802 1.00 0.00 H new ATOM 704 N GLN A 66 -1.267 -0.270 3.013 1.00 0.00 N ATOM 705 CA GLN A 66 -0.834 -0.416 4.392 1.00 0.00 C ATOM 706 C GLN A 66 0.377 0.478 4.665 1.00 0.00 C ATOM 707 O GLN A 66 0.754 0.684 5.817 1.00 0.00 O ATOM 708 CB GLN A 66 -0.523 -1.877 4.718 1.00 0.00 C ATOM 709 CG GLN A 66 -1.714 -2.553 5.400 1.00 0.00 C ATOM 710 CD GLN A 66 -1.244 -3.592 6.420 1.00 0.00 C ATOM 711 OE1 GLN A 66 -0.298 -4.330 6.202 1.00 0.00 O ATOM 712 NE2 GLN A 66 -1.957 -3.609 7.543 1.00 0.00 N ATOM 0 H GLN A 66 -1.075 -1.076 2.419 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.649 -0.100 5.044 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.272 -2.412 3.802 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.351 -1.930 5.368 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.328 -1.802 5.897 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.343 -3.033 4.650 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.738 -2.963 7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.723 -4.268 8.286 1.00 0.00 H new ATOM 719 N ILE A 67 0.953 0.985 3.585 1.00 0.00 N ATOM 720 CA ILE A 67 2.115 1.852 3.694 1.00 0.00 C ATOM 721 C ILE A 67 1.687 3.302 3.462 1.00 0.00 C ATOM 722 O ILE A 67 2.407 4.072 2.828 1.00 0.00 O ATOM 723 CB ILE A 67 3.225 1.381 2.752 1.00 0.00 C ATOM 724 CG1 ILE A 67 2.698 1.213 1.324 1.00 0.00 C ATOM 725 CG2 ILE A 67 3.882 0.101 3.274 1.00 0.00 C ATOM 726 CD1 ILE A 67 3.812 1.439 0.300 1.00 0.00 C ATOM 0 H ILE A 67 0.637 0.812 2.631 1.00 0.00 H new ATOM 0 HA ILE A 67 2.536 1.800 4.698 1.00 0.00 H new ATOM 0 HB ILE A 67 3.997 2.150 2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.283 0.213 1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.887 1.919 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.667 -0.212 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.315 0.289 4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.133 -0.687 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.412 1.314 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.208 2.448 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.611 0.716 0.466 1.00 0.00 H new ATOM 737 N GLY A 68 0.517 3.631 3.989 1.00 0.00 N ATOM 738 CA GLY A 68 -0.016 4.975 3.848 1.00 0.00 C ATOM 739 C GLY A 68 0.315 5.555 2.471 1.00 0.00 C ATOM 740 O GLY A 68 0.739 6.705 2.362 1.00 0.00 O ATOM 0 H GLY A 68 -0.077 2.990 4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.097 4.958 3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.397 5.617 4.626 1.00 0.00 H new ATOM 744 N THR A 69 0.109 4.733 1.453 1.00 0.00 N ATOM 745 CA THR A 69 0.380 5.148 0.088 1.00 0.00 C ATOM 746 C THR A 69 -0.892 5.063 -0.759 1.00 0.00 C ATOM 747 O THR A 69 -1.449 3.982 -0.939 1.00 0.00 O ATOM 748 CB THR A 69 1.527 4.291 -0.449 1.00 0.00 C ATOM 749 OG1 THR A 69 2.034 5.039 -1.551 1.00 0.00 O ATOM 750 CG2 THR A 69 1.036 2.985 -1.079 1.00 0.00 C ATOM 0 H THR A 69 -0.243 3.780 1.547 1.00 0.00 H new ATOM 0 HA THR A 69 0.690 6.192 0.047 1.00 0.00 H new ATOM 0 HB THR A 69 2.221 4.066 0.360 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.992 4.860 -1.655 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.889 2.414 -1.444 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.501 2.399 -0.332 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.368 3.211 -1.910 1.00 0.00 H new ATOM 758 N CYS A 70 -1.312 6.216 -1.256 1.00 0.00 N ATOM 759 CA CYS A 70 -2.508 6.286 -2.079 1.00 0.00 C ATOM 760 C CYS A 70 -2.078 6.339 -3.547 1.00 0.00 C ATOM 761 O CYS A 70 -1.524 7.341 -3.998 1.00 0.00 O ATOM 762 CB CYS A 70 -3.389 7.476 -1.699 1.00 0.00 C ATOM 763 SG CYS A 70 -5.178 7.235 -2.000 1.00 0.00 S ATOM 0 H CYS A 70 -0.846 7.110 -1.105 1.00 0.00 H new ATOM 0 HA CYS A 70 -3.119 5.399 -1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -3.240 7.698 -0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.055 8.350 -2.258 1.00 0.00 H new ATOM 0 HG CYS A 70 -5.826 8.303 -1.640 1.00 0.00 H new ATOM 767 N TRP A 71 -2.349 5.249 -4.250 1.00 0.00 N ATOM 768 CA TRP A 71 -1.997 5.160 -5.656 1.00 0.00 C ATOM 769 C TRP A 71 -3.226 5.555 -6.477 1.00 0.00 C ATOM 770 O TRP A 71 -4.354 5.472 -5.992 1.00 0.00 O ATOM 771 CB TRP A 71 -1.469 3.767 -6.003 1.00 0.00 C ATOM 772 CG TRP A 71 -0.158 3.405 -5.302 1.00 0.00 C ATOM 773 CD1 TRP A 71 0.368 3.959 -4.201 1.00 0.00 C ATOM 774 CD2 TRP A 71 0.777 2.382 -5.701 1.00 0.00 C ATOM 775 NE1 TRP A 71 1.569 3.369 -3.863 1.00 0.00 N ATOM 776 CE2 TRP A 71 1.825 2.379 -4.805 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.738 1.486 -6.785 1.00 0.00 C ATOM 778 CZ2 TRP A 71 2.913 1.503 -4.900 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.832 0.617 -6.866 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.896 0.603 -5.972 1.00 0.00 C ATOM 0 H TRP A 71 -2.808 4.420 -3.872 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.184 5.846 -5.894 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -2.225 3.027 -5.741 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.322 3.704 -7.081 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.090 4.766 -3.648 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.160 3.614 -3.069 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.073 1.470 -7.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 3.722 1.521 -4.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 1.851 -0.092 -7.680 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.706 -0.099 -6.104 1.00 0.00 H new ATOM 790 N PRO A 72 -2.961 5.987 -7.739 1.00 0.00 N ATOM 791 CA PRO A 72 -4.032 6.395 -8.632 1.00 0.00 C ATOM 792 C PRO A 72 -4.789 5.179 -9.170 1.00 0.00 C ATOM 793 O PRO A 72 -4.201 4.119 -9.376 1.00 0.00 O ATOM 794 CB PRO A 72 -3.349 7.201 -9.725 1.00 0.00 C ATOM 795 CG PRO A 72 -1.878 6.826 -9.660 1.00 0.00 C ATOM 796 CD PRO A 72 -1.638 6.099 -8.347 1.00 0.00 C ATOM 0 HA PRO A 72 -4.792 6.994 -8.131 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.769 6.967 -10.703 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.487 8.270 -9.566 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.609 6.190 -10.503 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.254 7.718 -9.722 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.194 5.117 -8.513 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.953 6.654 -7.706 1.00 0.00 H new ATOM 801 N GLN A 73 -6.083 5.374 -9.385 1.00 0.00 N ATOM 802 CA GLN A 73 -6.926 4.307 -9.895 1.00 0.00 C ATOM 803 C GLN A 73 -6.221 3.574 -11.038 1.00 0.00 C ATOM 804 O GLN A 73 -5.187 4.028 -11.527 1.00 0.00 O ATOM 805 CB GLN A 73 -8.283 4.850 -10.347 1.00 0.00 C ATOM 806 CG GLN A 73 -8.121 5.834 -11.507 1.00 0.00 C ATOM 807 CD GLN A 73 -7.718 5.107 -12.790 1.00 0.00 C ATOM 808 OE1 GLN A 73 -6.617 5.589 -13.361 1.00 0.00 O flip ATOM 809 NE2 GLN A 73 -8.361 4.170 -13.233 1.00 0.00 N flip ATOM 0 H GLN A 73 -6.567 6.256 -9.215 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.106 3.595 -9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.925 4.024 -10.653 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.777 5.346 -9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.056 6.370 -11.667 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.366 6.579 -11.254 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.197 3.849 -12.745 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.062 3.707 -14.091 1.00 0.00 H new ATOM 816 N SER A 74 -6.808 2.453 -11.431 1.00 0.00 N ATOM 817 CA SER A 74 -6.248 1.654 -12.507 1.00 0.00 C ATOM 818 C SER A 74 -7.334 0.761 -13.114 1.00 0.00 C ATOM 819 O SER A 74 -8.434 0.662 -12.574 1.00 0.00 O ATOM 820 CB SER A 74 -5.079 0.802 -12.010 1.00 0.00 C ATOM 821 OG SER A 74 -4.364 1.441 -10.956 1.00 0.00 O ATOM 0 H SER A 74 -7.665 2.080 -11.024 1.00 0.00 H new ATOM 0 HA SER A 74 -5.870 2.330 -13.274 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.454 -0.161 -11.662 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.400 0.599 -12.838 1.00 0.00 H new ATOM 0 HG SER A 74 -4.151 0.784 -10.260 1.00 0.00 H new ATOM 826 N ALA A 75 -6.985 0.135 -14.228 1.00 0.00 N ATOM 827 CA ALA A 75 -7.916 -0.747 -14.913 1.00 0.00 C ATOM 828 C ALA A 75 -7.768 -2.165 -14.362 1.00 0.00 C ATOM 829 O ALA A 75 -6.740 -2.505 -13.777 1.00 0.00 O ATOM 830 CB ALA A 75 -7.666 -0.679 -16.421 1.00 0.00 C ATOM 0 H ALA A 75 -6.071 0.220 -14.674 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.944 -0.431 -14.737 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.363 -1.340 -16.936 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.812 0.344 -16.768 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.644 -0.992 -16.635 1.00 0.00 H new ATOM 836 N PRO A 76 -8.838 -2.978 -14.572 1.00 0.00 N ATOM 837 CA PRO A 76 -8.838 -4.353 -14.102 1.00 0.00 C ATOM 838 C PRO A 76 -7.952 -5.234 -14.985 1.00 0.00 C ATOM 839 O PRO A 76 -7.856 -5.013 -16.192 1.00 0.00 O ATOM 840 CB PRO A 76 -10.298 -4.774 -14.117 1.00 0.00 C ATOM 841 CG PRO A 76 -11.008 -3.787 -15.029 1.00 0.00 C ATOM 842 CD PRO A 76 -10.073 -2.611 -15.260 1.00 0.00 C ATOM 0 HA PRO A 76 -8.418 -4.456 -13.101 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.406 -5.794 -14.486 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.721 -4.752 -13.113 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.267 -4.260 -15.976 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.940 -3.450 -14.575 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.900 -2.446 -16.323 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.491 -1.688 -14.858 1.00 0.00 H new ATOM 847 N GLY A 77 -7.326 -6.214 -14.350 1.00 0.00 N ATOM 848 CA GLY A 77 -6.451 -7.129 -15.063 1.00 0.00 C ATOM 849 C GLY A 77 -5.153 -6.435 -15.478 1.00 0.00 C ATOM 850 O GLY A 77 -4.324 -7.023 -16.170 1.00 0.00 O ATOM 0 H GLY A 77 -7.407 -6.394 -13.349 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.223 -7.987 -14.430 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.962 -7.512 -15.947 1.00 0.00 H new ATOM 854 N ALA A 78 -5.016 -5.193 -15.038 1.00 0.00 N ATOM 855 CA ALA A 78 -3.832 -4.412 -15.354 1.00 0.00 C ATOM 856 C ALA A 78 -2.638 -4.965 -14.574 1.00 0.00 C ATOM 857 O ALA A 78 -2.586 -6.157 -14.275 1.00 0.00 O ATOM 858 CB ALA A 78 -4.097 -2.937 -15.049 1.00 0.00 C ATOM 0 H ALA A 78 -5.706 -4.708 -14.465 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.594 -4.487 -16.415 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.209 -2.351 -15.286 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.935 -2.586 -15.651 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.336 -2.821 -13.992 1.00 0.00 H new ATOM 864 N LEU A 79 -1.709 -4.072 -14.267 1.00 0.00 N ATOM 865 CA LEU A 79 -0.519 -4.456 -13.527 1.00 0.00 C ATOM 866 C LEU A 79 0.314 -3.207 -13.226 1.00 0.00 C ATOM 867 O LEU A 79 1.121 -2.781 -14.051 1.00 0.00 O ATOM 868 CB LEU A 79 0.253 -5.542 -14.278 1.00 0.00 C ATOM 869 CG LEU A 79 0.320 -6.910 -13.596 1.00 0.00 C ATOM 870 CD1 LEU A 79 0.408 -8.035 -14.629 1.00 0.00 C ATOM 871 CD2 LEU A 79 1.473 -6.965 -12.590 1.00 0.00 C ATOM 0 H LEU A 79 -1.756 -3.084 -14.517 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.793 -4.897 -12.569 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.202 -5.670 -15.260 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.271 -5.189 -14.441 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.604 -7.058 -13.037 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.454 -8.996 -14.117 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.472 -8.008 -15.272 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.304 -7.903 -15.235 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.499 -7.948 -12.119 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.416 -6.786 -13.107 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.327 -6.201 -11.827 1.00 0.00 H new ATOM 882 N VAL A 80 0.089 -2.657 -12.042 1.00 0.00 N ATOM 883 CA VAL A 80 0.808 -1.466 -11.622 1.00 0.00 C ATOM 884 C VAL A 80 2.042 -1.877 -10.818 1.00 0.00 C ATOM 885 O VAL A 80 2.170 -1.526 -9.646 1.00 0.00 O ATOM 886 CB VAL A 80 -0.127 -0.535 -10.847 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.634 0.671 -10.293 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.303 -0.089 -11.719 1.00 0.00 C ATOM 0 H VAL A 80 -0.581 -3.014 -11.360 1.00 0.00 H new ATOM 0 HA VAL A 80 1.157 -0.906 -12.490 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.530 -1.093 -10.002 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.054 1.316 -9.747 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.420 0.328 -9.621 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.079 1.230 -11.116 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.952 0.572 -11.144 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.927 0.442 -12.593 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.869 -0.963 -12.041 1.00 0.00 H new ATOM 898 N GLU A 81 2.921 -2.617 -11.479 1.00 0.00 N ATOM 899 CA GLU A 81 4.140 -3.081 -10.840 1.00 0.00 C ATOM 900 C GLU A 81 5.300 -2.137 -11.163 1.00 0.00 C ATOM 901 O GLU A 81 5.324 -1.517 -12.224 1.00 0.00 O ATOM 902 CB GLU A 81 4.468 -4.515 -11.260 1.00 0.00 C ATOM 903 CG GLU A 81 4.737 -4.599 -12.764 1.00 0.00 C ATOM 904 CD GLU A 81 5.898 -5.551 -13.061 1.00 0.00 C ATOM 905 OE1 GLU A 81 6.893 -5.484 -12.307 1.00 0.00 O ATOM 906 OE2 GLU A 81 5.764 -6.322 -14.035 1.00 0.00 O ATOM 0 H GLU A 81 2.812 -2.906 -12.451 1.00 0.00 H new ATOM 0 HA GLU A 81 3.985 -3.080 -9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.341 -4.868 -10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.639 -5.173 -10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.840 -4.942 -13.279 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.967 -3.607 -13.152 1.00 0.00 H new ATOM 911 N ARG A 82 6.234 -2.057 -10.226 1.00 0.00 N ATOM 912 CA ARG A 82 7.394 -1.199 -10.398 1.00 0.00 C ATOM 913 C ARG A 82 8.545 -1.678 -9.510 1.00 0.00 C ATOM 914 O ARG A 82 8.969 -0.969 -8.599 1.00 0.00 O ATOM 915 CB ARG A 82 7.062 0.253 -10.049 1.00 0.00 C ATOM 916 CG ARG A 82 6.286 0.337 -8.733 1.00 0.00 C ATOM 917 CD ARG A 82 5.931 1.787 -8.397 1.00 0.00 C ATOM 918 NE ARG A 82 4.463 1.970 -8.434 1.00 0.00 N ATOM 919 CZ ARG A 82 3.857 3.164 -8.499 1.00 0.00 C ATOM 920 NH1 ARG A 82 4.588 4.286 -8.534 1.00 0.00 N ATOM 921 NH2 ARG A 82 2.519 3.235 -8.528 1.00 0.00 N ATOM 0 H ARG A 82 6.211 -2.572 -9.346 1.00 0.00 H new ATOM 0 HA ARG A 82 7.692 -1.251 -11.445 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.983 0.831 -9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.474 0.698 -10.851 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.375 -0.257 -8.806 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.882 -0.091 -7.927 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.313 2.044 -7.409 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.408 2.461 -9.109 1.00 0.00 H new ATOM 0 HE ARG A 82 3.876 1.136 -8.408 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.606 4.232 -8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.126 5.194 -8.583 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.962 2.381 -8.501 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.057 4.143 -8.577 1.00 0.00 H new ATOM 1166 N ALA A 99 7.732 -2.086 -5.291 1.00 0.00 N ATOM 1167 CA ALA A 99 6.356 -2.274 -4.862 1.00 0.00 C ATOM 1168 C ALA A 99 5.453 -2.376 -6.093 1.00 0.00 C ATOM 1169 O ALA A 99 5.365 -1.437 -6.882 1.00 0.00 O ATOM 1170 CB ALA A 99 5.949 -1.129 -3.933 1.00 0.00 C ATOM 0 HA ALA A 99 6.253 -3.202 -4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.917 -1.270 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.603 -1.118 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.037 -0.181 -4.464 1.00 0.00 H new ATOM 1176 N TYR A 100 4.805 -3.525 -6.219 1.00 0.00 N ATOM 1177 CA TYR A 100 3.911 -3.761 -7.339 1.00 0.00 C ATOM 1178 C TYR A 100 2.598 -4.393 -6.871 1.00 0.00 C ATOM 1179 O TYR A 100 2.590 -5.198 -5.942 1.00 0.00 O ATOM 1180 CB TYR A 100 4.638 -4.746 -8.258 1.00 0.00 C ATOM 1181 CG TYR A 100 5.259 -5.937 -7.525 1.00 0.00 C ATOM 1182 CD1 TYR A 100 4.473 -7.011 -7.163 1.00 0.00 C ATOM 1183 CD2 TYR A 100 6.607 -5.936 -7.227 1.00 0.00 C ATOM 1184 CE1 TYR A 100 5.057 -8.132 -6.473 1.00 0.00 C ATOM 1185 CE2 TYR A 100 7.191 -7.057 -6.537 1.00 0.00 C ATOM 1186 CZ TYR A 100 6.388 -8.100 -6.195 1.00 0.00 C ATOM 1187 OH TYR A 100 6.941 -9.158 -5.544 1.00 0.00 O ATOM 0 H TYR A 100 4.882 -4.303 -5.563 1.00 0.00 H new ATOM 0 HA TYR A 100 3.667 -2.824 -7.839 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.936 -5.118 -9.004 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.423 -4.214 -8.796 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.419 -7.011 -7.397 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.223 -5.095 -7.511 1.00 0.00 H new ATOM 0 HE1 TYR A 100 4.452 -8.978 -6.183 1.00 0.00 H new ATOM 0 HE2 TYR A 100 8.244 -7.069 -6.296 1.00 0.00 H new ATOM 0 HH TYR A 100 7.899 -8.998 -5.414 1.00 0.00 H new ATOM 1196 N ARG A 101 1.521 -4.004 -7.538 1.00 0.00 N ATOM 1197 CA ARG A 101 0.206 -4.522 -7.201 1.00 0.00 C ATOM 1198 C ARG A 101 -0.541 -4.938 -8.470 1.00 0.00 C ATOM 1199 O ARG A 101 -0.668 -4.150 -9.406 1.00 0.00 O ATOM 1200 CB ARG A 101 -0.622 -3.478 -6.449 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.578 -3.727 -4.940 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.750 -3.039 -4.237 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.415 -3.988 -3.317 1.00 0.00 N ATOM 1204 CZ ARG A 101 -3.321 -3.631 -2.396 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -3.674 -2.346 -2.266 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.873 -4.561 -1.604 1.00 0.00 N ATOM 0 H ARG A 101 1.532 -3.337 -8.309 1.00 0.00 H new ATOM 0 HA ARG A 101 0.347 -5.390 -6.556 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.241 -2.480 -6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.655 -3.509 -6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.610 -4.799 -4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.363 -3.356 -4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.393 -2.171 -3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.464 -2.674 -4.975 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.169 -4.975 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.253 -1.638 -2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.364 -2.075 -1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.603 -5.540 -1.702 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.562 -4.290 -0.903 1.00 0.00 H new ATOM 1217 N GLU A 102 -1.016 -6.174 -8.460 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.748 -6.705 -9.599 1.00 0.00 C ATOM 1219 C GLU A 102 -3.237 -6.383 -9.468 1.00 0.00 C ATOM 1220 O GLU A 102 -3.794 -6.438 -8.372 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.521 -8.211 -9.742 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.946 -8.953 -8.474 1.00 0.00 C ATOM 1223 CD GLU A 102 -0.806 -9.823 -7.940 1.00 0.00 C ATOM 1224 OE1 GLU A 102 0.154 -9.231 -7.399 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -0.918 -11.059 -8.085 1.00 0.00 O ATOM 0 H GLU A 102 -0.909 -6.824 -7.681 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.372 -6.228 -10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.086 -8.588 -10.595 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.468 -8.406 -9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.248 -8.235 -7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.815 -9.576 -8.687 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.841 -6.056 -10.602 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.256 -5.726 -10.627 1.00 0.00 C ATOM 1232 C CYS A 103 -6.015 -6.913 -11.225 1.00 0.00 C ATOM 1233 O CYS A 103 -5.877 -7.208 -12.412 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.521 -4.431 -11.400 1.00 0.00 C ATOM 1235 SG CYS A 103 -5.521 -2.914 -10.377 1.00 0.00 S ATOM 0 H CYS A 103 -3.376 -6.013 -11.509 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.608 -5.545 -9.612 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.765 -4.328 -12.178 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.485 -4.514 -11.901 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.799 -7.561 -10.377 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.580 -8.709 -10.806 1.00 0.00 C ATOM 1241 C LEU A 104 -8.603 -8.261 -11.852 1.00 0.00 C ATOM 1242 O LEU A 104 -8.880 -7.070 -11.985 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.201 -9.415 -9.600 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.620 -10.787 -9.253 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.318 -11.895 -10.044 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -6.103 -10.807 -9.457 1.00 0.00 C ATOM 0 H LEU A 104 -6.911 -7.313 -9.394 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.939 -9.450 -11.284 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.094 -8.767 -8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.269 -9.531 -9.782 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.807 -10.979 -8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.886 -12.860 -9.778 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.382 -11.896 -9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.185 -11.719 -11.111 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.715 -11.793 -9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.873 -10.583 -10.499 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.640 -10.058 -8.814 1.00 0.00 H new ATOM 1257 N GLU A 105 -9.138 -9.240 -12.567 1.00 0.00 N ATOM 1258 CA GLU A 105 -10.125 -8.962 -13.596 1.00 0.00 C ATOM 1259 C GLU A 105 -11.489 -8.687 -12.962 1.00 0.00 C ATOM 1260 O GLU A 105 -12.470 -8.452 -13.669 1.00 0.00 O ATOM 1261 CB GLU A 105 -10.209 -10.113 -14.601 1.00 0.00 C ATOM 1262 CG GLU A 105 -10.417 -9.588 -16.022 1.00 0.00 C ATOM 1263 CD GLU A 105 -11.218 -10.583 -16.863 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -10.977 -11.797 -16.689 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -12.055 -10.108 -17.662 1.00 0.00 O ATOM 0 H GLU A 105 -8.906 -10.227 -12.454 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.813 -8.071 -14.140 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.294 -10.705 -14.559 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.031 -10.777 -14.331 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.940 -8.632 -15.987 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.450 -9.406 -16.491 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.510 -8.724 -11.638 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.738 -8.481 -10.902 1.00 0.00 C ATOM 1272 C ASN A 106 -12.804 -7.006 -10.499 1.00 0.00 C ATOM 1273 O ASN A 106 -13.792 -6.561 -9.917 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.791 -9.323 -9.624 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.215 -9.803 -9.342 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.024 -9.113 -8.743 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.477 -11.022 -9.806 1.00 0.00 N ATOM 0 H ASN A 106 -10.695 -8.919 -11.056 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.575 -8.750 -11.546 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.127 -10.182 -9.722 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.428 -8.734 -8.781 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -15.401 -11.432 -9.669 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.754 -11.546 -10.299 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.739 -6.289 -10.826 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.663 -4.874 -10.506 1.00 0.00 C ATOM 1285 C GLY A 107 -11.241 -4.662 -9.051 1.00 0.00 C ATOM 1286 O GLY A 107 -11.804 -3.821 -8.353 1.00 0.00 O ATOM 0 H GLY A 107 -10.922 -6.662 -11.309 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.950 -4.385 -11.170 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.632 -4.406 -10.679 1.00 0.00 H new ATOM 1290 N THR A 108 -10.254 -5.442 -8.635 1.00 0.00 N ATOM 1291 CA THR A 108 -9.750 -5.352 -7.275 1.00 0.00 C ATOM 1292 C THR A 108 -8.222 -5.283 -7.276 1.00 0.00 C ATOM 1293 O THR A 108 -7.583 -5.597 -8.279 1.00 0.00 O ATOM 1294 CB THR A 108 -10.304 -6.539 -6.485 1.00 0.00 C ATOM 1295 OG1 THR A 108 -9.887 -7.679 -7.232 1.00 0.00 O ATOM 1296 CG2 THR A 108 -11.832 -6.607 -6.524 1.00 0.00 C ATOM 0 H THR A 108 -9.790 -6.140 -9.216 1.00 0.00 H new ATOM 0 HA THR A 108 -10.085 -4.436 -6.789 1.00 0.00 H new ATOM 0 HB THR A 108 -9.970 -6.473 -5.450 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.203 -8.494 -6.789 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.173 -7.467 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.248 -5.695 -6.095 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.166 -6.707 -7.557 1.00 0.00 H new ATOM 1304 N TRP A 109 -7.679 -4.869 -6.141 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.238 -4.755 -5.998 1.00 0.00 C ATOM 1306 C TRP A 109 -5.700 -6.109 -5.529 1.00 0.00 C ATOM 1307 O TRP A 109 -6.443 -7.087 -5.463 1.00 0.00 O ATOM 1308 CB TRP A 109 -5.869 -3.607 -5.055 1.00 0.00 C ATOM 1309 CG TRP A 109 -5.700 -2.257 -5.755 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.348 -1.111 -5.505 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -4.795 -1.958 -6.838 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -5.928 -0.099 -6.343 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -4.954 -0.630 -7.180 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -3.872 -2.781 -7.507 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.224 -0.009 -8.201 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.151 -2.145 -8.525 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.298 -0.810 -8.881 1.00 0.00 C ATOM 0 H TRP A 109 -8.212 -4.608 -5.311 1.00 0.00 H new ATOM 0 HA TRP A 109 -5.775 -4.508 -6.953 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.642 -3.515 -4.292 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.941 -3.857 -4.541 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.104 -0.994 -4.743 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.269 0.862 -6.347 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.730 -3.822 -7.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.367 1.032 -8.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.430 -2.734 -9.072 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.701 -0.392 -9.678 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.413 -6.123 -5.216 1.00 0.00 N ATOM 1328 CA ALA A 110 -3.767 -7.340 -4.756 1.00 0.00 C ATOM 1329 C ALA A 110 -3.840 -7.405 -3.228 1.00 0.00 C ATOM 1330 O ALA A 110 -4.643 -6.707 -2.612 1.00 0.00 O ATOM 1331 CB ALA A 110 -2.328 -7.383 -5.273 1.00 0.00 C ATOM 0 H ALA A 110 -3.800 -5.310 -5.272 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.280 -8.218 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.844 -8.297 -4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.332 -7.365 -6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.781 -6.518 -4.898 1.00 0.00 H new ATOM 1337 N SER A 111 -2.989 -8.248 -2.663 1.00 0.00 N ATOM 1338 CA SER A 111 -2.946 -8.412 -1.220 1.00 0.00 C ATOM 1339 C SER A 111 -2.369 -7.156 -0.566 1.00 0.00 C ATOM 1340 O SER A 111 -2.969 -6.595 0.348 1.00 0.00 O ATOM 1341 CB SER A 111 -2.122 -9.641 -0.830 1.00 0.00 C ATOM 1342 OG SER A 111 -0.748 -9.495 -1.179 1.00 0.00 O ATOM 0 H SER A 111 -2.324 -8.825 -3.178 1.00 0.00 H new ATOM 0 HA SER A 111 -3.965 -8.563 -0.863 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.208 -9.809 0.244 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.530 -10.523 -1.324 1.00 0.00 H new ATOM 0 HG SER A 111 -0.255 -10.299 -0.912 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.208 -6.751 -1.062 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.542 -5.570 -0.538 1.00 0.00 C ATOM 1349 C ARG A 112 0.761 -5.313 -1.299 1.00 0.00 C ATOM 1350 O ARG A 112 1.643 -6.170 -1.333 1.00 0.00 O ATOM 1351 CB ARG A 112 -0.232 -5.729 0.952 1.00 0.00 C ATOM 1352 CG ARG A 112 -1.056 -4.751 1.791 1.00 0.00 C ATOM 1353 CD ARG A 112 -1.630 -5.441 3.030 1.00 0.00 C ATOM 1354 NE ARG A 112 -0.532 -5.971 3.869 1.00 0.00 N ATOM 1355 CZ ARG A 112 -0.130 -7.249 3.861 1.00 0.00 C ATOM 1356 NH1 ARG A 112 -0.733 -8.136 3.056 1.00 0.00 N ATOM 1357 NH2 ARG A 112 0.875 -7.641 4.656 1.00 0.00 N ATOM 0 H ARG A 112 -0.712 -7.219 -1.820 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.216 -4.723 -0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.446 -6.751 1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.830 -5.558 1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.431 -3.911 2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.868 -4.343 1.188 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.229 -4.735 3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.293 -6.252 2.730 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.051 -5.323 4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.497 -7.838 2.450 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -0.427 -9.109 3.050 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.334 -6.966 5.268 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.181 -8.614 4.649 1.00 0.00 H new ATOM 1368 N VAL A 113 0.839 -4.131 -1.892 1.00 0.00 N ATOM 1369 CA VAL A 113 2.018 -3.751 -2.650 1.00 0.00 C ATOM 1370 C VAL A 113 3.269 -4.036 -1.817 1.00 0.00 C ATOM 1371 O VAL A 113 3.170 -4.485 -0.675 1.00 0.00 O ATOM 1372 CB VAL A 113 1.911 -2.289 -3.087 1.00 0.00 C ATOM 1373 CG1 VAL A 113 2.587 -1.363 -2.074 1.00 0.00 C ATOM 1374 CG2 VAL A 113 2.495 -2.090 -4.488 1.00 0.00 C ATOM 0 H VAL A 113 0.104 -3.424 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 113 2.093 -4.344 -3.562 1.00 0.00 H new ATOM 0 HB VAL A 113 0.853 -2.028 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.496 -0.330 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.105 -1.473 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.641 -1.626 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.406 -1.042 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.546 -2.378 -4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.949 -2.708 -5.201 1.00 0.00 H new