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= -1.42 X(o=-3,f=-3.4) USER MOD Set 1.2: A 73 GLN : amide:sc= -1.6 K(o=-3,f=-7.3!) USER MOD Single : A 58 THR OG1 : rot 40:sc= 0.377 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.72! USER MOD Single : A 63 THR OG1 : rot 77:sc= 0.343 USER MOD Single : A 66 GLN : amide:sc= -7.34! C(o=-7.3!,f=-8.6!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= -0.0157 USER MOD Single : A 74 SER OG : rot -150:sc= -0.498 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= -1.25 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -15.937 -1.571 -14.585 1.00 0.00 N ATOM 592 CA THR A 58 -15.507 -1.610 -13.197 1.00 0.00 C ATOM 593 C THR A 58 -13.980 -1.623 -13.113 1.00 0.00 C ATOM 594 O THR A 58 -13.351 -2.656 -13.339 1.00 0.00 O ATOM 595 CB THR A 58 -16.163 -2.822 -12.533 1.00 0.00 C ATOM 596 OG1 THR A 58 -17.558 -2.623 -12.749 1.00 0.00 O ATOM 597 CG2 THR A 58 -16.017 -2.805 -11.009 1.00 0.00 C ATOM 0 HA THR A 58 -15.823 -0.716 -12.659 1.00 0.00 H new ATOM 0 HB THR A 58 -15.722 -3.736 -12.930 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.702 -2.267 -13.651 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.500 -3.687 -10.587 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.960 -2.809 -10.745 1.00 0.00 H new ATOM 0 HG23 THR A 58 -16.488 -1.907 -10.608 1.00 0.00 H new ATOM 605 N TYR A 59 -13.427 -0.464 -12.787 1.00 0.00 N ATOM 606 CA TYR A 59 -11.985 -0.329 -12.669 1.00 0.00 C ATOM 607 C TYR A 59 -11.562 -0.222 -11.203 1.00 0.00 C ATOM 608 O TYR A 59 -12.391 0.036 -10.331 1.00 0.00 O ATOM 609 CB TYR A 59 -11.622 0.972 -13.389 1.00 0.00 C ATOM 610 CG TYR A 59 -12.603 2.118 -13.132 1.00 0.00 C ATOM 611 CD1 TYR A 59 -12.813 2.570 -11.845 1.00 0.00 C ATOM 612 CD2 TYR A 59 -13.275 2.700 -14.187 1.00 0.00 C ATOM 613 CE1 TYR A 59 -13.735 3.649 -11.602 1.00 0.00 C ATOM 614 CE2 TYR A 59 -14.196 3.780 -13.944 1.00 0.00 C ATOM 615 CZ TYR A 59 -14.381 4.201 -12.665 1.00 0.00 C ATOM 616 OH TYR A 59 -15.252 5.220 -12.436 1.00 0.00 O ATOM 0 H TYR A 59 -13.952 0.391 -12.601 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.483 -1.197 -13.096 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.625 1.283 -13.076 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.574 0.781 -14.461 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -12.286 2.114 -11.020 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.111 2.346 -15.194 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -13.910 4.012 -10.600 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -14.728 4.245 -14.760 1.00 0.00 H new ATOM 0 HH TYR A 59 -15.639 5.517 -13.286 1.00 0.00 H new ATOM 625 N CYS A 60 -10.272 -0.424 -10.976 1.00 0.00 N ATOM 626 CA CYS A 60 -9.730 -0.353 -9.630 1.00 0.00 C ATOM 627 C CYS A 60 -10.143 0.985 -9.016 1.00 0.00 C ATOM 628 O CYS A 60 -10.518 1.912 -9.731 1.00 0.00 O ATOM 629 CB CYS A 60 -8.211 -0.540 -9.622 1.00 0.00 C ATOM 630 SG CYS A 60 -7.596 -1.874 -10.713 1.00 0.00 S ATOM 0 H CYS A 60 -9.587 -0.637 -11.701 1.00 0.00 H new ATOM 0 HA CYS A 60 -10.134 -1.167 -9.029 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.742 0.398 -9.919 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.890 -0.748 -8.601 1.00 0.00 H new ATOM 634 N ASN A 61 -10.060 1.043 -7.694 1.00 0.00 N ATOM 635 CA ASN A 61 -10.421 2.253 -6.975 1.00 0.00 C ATOM 636 C ASN A 61 -9.153 2.921 -6.438 1.00 0.00 C ATOM 637 O ASN A 61 -8.070 2.340 -6.496 1.00 0.00 O ATOM 638 CB ASN A 61 -11.328 1.936 -5.784 1.00 0.00 C ATOM 639 CG ASN A 61 -12.008 3.203 -5.260 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.635 3.763 -4.241 1.00 0.00 O ATOM 641 ND2 ASN A 61 -13.022 3.622 -6.010 1.00 0.00 N ATOM 0 H ASN A 61 -9.748 0.272 -7.103 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.949 2.910 -7.666 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.084 1.210 -6.081 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.742 1.478 -4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.540 4.459 -5.745 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.282 3.106 -6.851 1.00 0.00 H new ATOM 647 N THR A 62 -9.330 4.131 -5.928 1.00 0.00 N ATOM 648 CA THR A 62 -8.212 4.883 -5.381 1.00 0.00 C ATOM 649 C THR A 62 -8.226 4.822 -3.853 1.00 0.00 C ATOM 650 O THR A 62 -9.278 4.968 -3.232 1.00 0.00 O ATOM 651 CB THR A 62 -8.286 6.307 -5.935 1.00 0.00 C ATOM 652 OG1 THR A 62 -7.000 6.855 -5.658 1.00 0.00 O ATOM 653 CG2 THR A 62 -9.248 7.194 -5.140 1.00 0.00 C ATOM 0 H THR A 62 -10.230 4.609 -5.882 1.00 0.00 H new ATOM 0 HA THR A 62 -7.258 4.451 -5.682 1.00 0.00 H new ATOM 0 HB THR A 62 -8.599 6.275 -6.979 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.960 7.778 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.264 8.194 -5.574 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.250 6.767 -5.176 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.916 7.254 -4.104 1.00 0.00 H new ATOM 661 N THR A 63 -7.046 4.607 -3.291 1.00 0.00 N ATOM 662 CA THR A 63 -6.908 4.526 -1.846 1.00 0.00 C ATOM 663 C THR A 63 -5.526 3.988 -1.472 1.00 0.00 C ATOM 664 O THR A 63 -4.853 3.370 -2.295 1.00 0.00 O ATOM 665 CB THR A 63 -8.058 3.671 -1.310 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.852 4.588 -0.562 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.592 2.649 -0.271 1.00 0.00 C ATOM 0 H THR A 63 -6.176 4.486 -3.810 1.00 0.00 H new ATOM 0 HA THR A 63 -6.974 5.512 -1.386 1.00 0.00 H new ATOM 0 HB THR A 63 -8.542 3.153 -2.138 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.382 5.138 -1.176 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.446 2.069 0.077 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.858 1.981 -0.722 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.139 3.169 0.573 1.00 0.00 H new ATOM 675 N LEU A 64 -5.143 4.244 -0.230 1.00 0.00 N ATOM 676 CA LEU A 64 -3.854 3.794 0.264 1.00 0.00 C ATOM 677 C LEU A 64 -4.066 2.865 1.461 1.00 0.00 C ATOM 678 O LEU A 64 -4.947 3.101 2.286 1.00 0.00 O ATOM 679 CB LEU A 64 -2.948 4.991 0.568 1.00 0.00 C ATOM 680 CG LEU A 64 -3.244 5.742 1.868 1.00 0.00 C ATOM 681 CD1 LEU A 64 -4.678 6.275 1.880 1.00 0.00 C ATOM 682 CD2 LEU A 64 -2.947 4.866 3.086 1.00 0.00 C ATOM 0 H LEU A 64 -5.704 4.758 0.449 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.335 3.216 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.916 4.642 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.020 5.696 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.581 6.605 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.862 6.804 2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.819 6.958 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.376 5.443 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.166 5.423 3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.568 3.971 3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.896 4.579 3.080 1.00 0.00 H new ATOM 693 N ASP A 65 -3.244 1.828 1.518 1.00 0.00 N ATOM 694 CA ASP A 65 -3.331 0.862 2.599 1.00 0.00 C ATOM 695 C ASP A 65 -2.199 -0.158 2.460 1.00 0.00 C ATOM 696 O ASP A 65 -2.380 -1.337 2.760 1.00 0.00 O ATOM 697 CB ASP A 65 -4.659 0.103 2.555 1.00 0.00 C ATOM 698 CG ASP A 65 -5.395 0.009 3.893 1.00 0.00 C ATOM 699 OD1 ASP A 65 -6.069 1.003 4.241 1.00 0.00 O ATOM 700 OD2 ASP A 65 -5.267 -1.054 4.538 1.00 0.00 O ATOM 0 H ASP A 65 -2.514 1.636 0.832 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.257 1.405 3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.314 0.588 1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.471 -0.906 2.189 1.00 0.00 H new ATOM 704 N GLN A 66 -1.056 0.333 2.003 1.00 0.00 N ATOM 705 CA GLN A 66 0.105 -0.521 1.820 1.00 0.00 C ATOM 706 C GLN A 66 1.297 0.028 2.608 1.00 0.00 C ATOM 707 O GLN A 66 1.631 -0.487 3.674 1.00 0.00 O ATOM 708 CB GLN A 66 0.450 -0.666 0.337 1.00 0.00 C ATOM 709 CG GLN A 66 -0.260 -1.877 -0.273 1.00 0.00 C ATOM 710 CD GLN A 66 -1.780 -1.723 -0.190 1.00 0.00 C ATOM 711 OE1 GLN A 66 -2.453 -2.366 0.599 1.00 0.00 O ATOM 712 NE2 GLN A 66 -2.281 -0.836 -1.045 1.00 0.00 N ATOM 0 H GLN A 66 -0.909 1.311 1.754 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.134 -1.513 2.203 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.160 0.238 -0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.528 -0.774 0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.041 -1.992 -1.314 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.046 -2.783 0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.661 -0.332 -1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.285 -0.660 -1.067 1.00 0.00 H new ATOM 719 N ILE A 67 1.905 1.066 2.053 1.00 0.00 N ATOM 720 CA ILE A 67 3.053 1.690 2.690 1.00 0.00 C ATOM 721 C ILE A 67 2.954 3.208 2.533 1.00 0.00 C ATOM 722 O ILE A 67 3.963 3.882 2.331 1.00 0.00 O ATOM 723 CB ILE A 67 4.354 1.099 2.146 1.00 0.00 C ATOM 724 CG1 ILE A 67 4.264 0.871 0.635 1.00 0.00 C ATOM 725 CG2 ILE A 67 4.734 -0.179 2.896 1.00 0.00 C ATOM 726 CD1 ILE A 67 5.519 1.385 -0.074 1.00 0.00 C ATOM 0 H ILE A 67 1.625 1.491 1.169 1.00 0.00 H new ATOM 0 HA ILE A 67 3.057 1.479 3.759 1.00 0.00 H new ATOM 0 HB ILE A 67 5.153 1.821 2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.137 -0.192 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.385 1.379 0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.663 -0.578 2.488 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.869 0.046 3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.941 -0.918 2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.428 1.210 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.630 2.453 0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.394 0.858 0.307 1.00 0.00 H new ATOM 737 N GLY A 68 1.728 3.704 2.634 1.00 0.00 N ATOM 738 CA GLY A 68 1.485 5.130 2.506 1.00 0.00 C ATOM 739 C GLY A 68 1.266 5.521 1.044 1.00 0.00 C ATOM 740 O GLY A 68 0.449 6.389 0.744 1.00 0.00 O ATOM 0 H GLY A 68 0.893 3.143 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.611 5.408 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.332 5.684 2.911 1.00 0.00 H new ATOM 744 N THR A 69 2.013 4.860 0.171 1.00 0.00 N ATOM 745 CA THR A 69 1.911 5.128 -1.254 1.00 0.00 C ATOM 746 C THR A 69 0.466 4.960 -1.727 1.00 0.00 C ATOM 747 O THR A 69 -0.068 3.852 -1.723 1.00 0.00 O ATOM 748 CB THR A 69 2.898 4.210 -1.979 1.00 0.00 C ATOM 749 OG1 THR A 69 4.169 4.806 -1.738 1.00 0.00 O ATOM 750 CG2 THR A 69 2.741 4.266 -3.500 1.00 0.00 C ATOM 0 H THR A 69 2.691 4.140 0.423 1.00 0.00 H new ATOM 0 HA THR A 69 2.176 6.160 -1.482 1.00 0.00 H new ATOM 0 HB THR A 69 2.757 3.184 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.868 4.273 -2.172 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.465 3.597 -3.965 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.732 3.956 -3.773 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.914 5.285 -3.846 1.00 0.00 H new ATOM 758 N CYS A 70 -0.127 6.077 -2.121 1.00 0.00 N ATOM 759 CA CYS A 70 -1.500 6.068 -2.595 1.00 0.00 C ATOM 760 C CYS A 70 -1.505 5.580 -4.045 1.00 0.00 C ATOM 761 O CYS A 70 -0.631 5.945 -4.830 1.00 0.00 O ATOM 762 CB CYS A 70 -2.156 7.443 -2.454 1.00 0.00 C ATOM 763 SG CYS A 70 -3.455 7.805 -3.692 1.00 0.00 S ATOM 0 H CYS A 70 0.318 6.995 -2.122 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.094 5.390 -1.982 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.591 7.522 -1.458 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.383 8.208 -2.525 1.00 0.00 H new ATOM 0 HG CYS A 70 -3.941 8.991 -3.477 1.00 0.00 H new ATOM 767 N TRP A 71 -2.499 4.760 -4.356 1.00 0.00 N ATOM 768 CA TRP A 71 -2.629 4.218 -5.698 1.00 0.00 C ATOM 769 C TRP A 71 -3.951 4.717 -6.284 1.00 0.00 C ATOM 770 O TRP A 71 -5.023 4.382 -5.782 1.00 0.00 O ATOM 771 CB TRP A 71 -2.519 2.693 -5.685 1.00 0.00 C ATOM 772 CG TRP A 71 -1.611 2.143 -4.584 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.869 2.046 -3.273 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.279 1.614 -4.753 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.806 1.496 -2.586 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.192 1.225 -3.515 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.503 1.469 -5.912 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.461 0.667 -3.318 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.768 0.909 -5.699 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.257 0.512 -4.460 1.00 0.00 C ATOM 0 H TRP A 71 -3.221 4.458 -3.702 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.814 4.564 -6.334 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.516 2.268 -5.565 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.144 2.358 -6.652 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.794 2.359 -2.811 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.761 1.321 -1.582 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.155 1.766 -6.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.807 0.372 -2.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.409 0.776 -6.558 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.246 0.086 -4.378 1.00 0.00 H new ATOM 790 N PRO A 72 -3.829 5.532 -7.366 1.00 0.00 N ATOM 791 CA PRO A 72 -5.001 6.082 -8.026 1.00 0.00 C ATOM 792 C PRO A 72 -5.708 5.015 -8.865 1.00 0.00 C ATOM 793 O PRO A 72 -5.073 4.082 -9.353 1.00 0.00 O ATOM 794 CB PRO A 72 -4.478 7.240 -8.858 1.00 0.00 C ATOM 795 CG PRO A 72 -2.982 7.011 -8.999 1.00 0.00 C ATOM 796 CD PRO A 72 -2.576 5.950 -7.988 1.00 0.00 C ATOM 0 HA PRO A 72 -5.758 6.426 -7.321 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.962 7.269 -9.834 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.683 8.194 -8.372 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.739 6.687 -10.011 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.435 7.937 -8.821 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.076 5.112 -8.473 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.882 6.352 -7.250 1.00 0.00 H new ATOM 801 N GLN A 73 -7.014 5.188 -9.008 1.00 0.00 N ATOM 802 CA GLN A 73 -7.814 4.252 -9.780 1.00 0.00 C ATOM 803 C GLN A 73 -7.025 3.756 -10.994 1.00 0.00 C ATOM 804 O GLN A 73 -6.153 4.459 -11.501 1.00 0.00 O ATOM 805 CB GLN A 73 -9.138 4.887 -10.208 1.00 0.00 C ATOM 806 CG GLN A 73 -10.045 5.132 -9.000 1.00 0.00 C ATOM 807 CD GLN A 73 -11.519 4.973 -9.380 1.00 0.00 C ATOM 808 OE1 GLN A 73 -12.284 4.281 -8.729 1.00 0.00 O ATOM 809 NE2 GLN A 73 -11.873 5.653 -10.468 1.00 0.00 N ATOM 0 H GLN A 73 -7.538 5.963 -8.602 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.048 3.395 -9.148 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.945 5.830 -10.719 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.644 4.236 -10.921 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.793 4.431 -8.204 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.873 6.135 -8.609 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.182 6.214 -10.966 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.835 5.614 -10.803 1.00 0.00 H new ATOM 816 N SER A 74 -7.362 2.549 -11.425 1.00 0.00 N ATOM 817 CA SER A 74 -6.698 1.951 -12.569 1.00 0.00 C ATOM 818 C SER A 74 -7.603 0.896 -13.208 1.00 0.00 C ATOM 819 O SER A 74 -8.616 0.508 -12.627 1.00 0.00 O ATOM 820 CB SER A 74 -5.359 1.328 -12.166 1.00 0.00 C ATOM 821 OG SER A 74 -4.770 2.002 -11.057 1.00 0.00 O ATOM 0 H SER A 74 -8.087 1.969 -11.002 1.00 0.00 H new ATOM 0 HA SER A 74 -6.498 2.737 -13.297 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.509 0.278 -11.915 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.675 1.358 -13.014 1.00 0.00 H new ATOM 0 HG SER A 74 -3.794 1.937 -11.115 1.00 0.00 H new ATOM 826 N ALA A 75 -7.205 0.460 -14.394 1.00 0.00 N ATOM 827 CA ALA A 75 -7.968 -0.542 -15.118 1.00 0.00 C ATOM 828 C ALA A 75 -7.777 -1.905 -14.446 1.00 0.00 C ATOM 829 O ALA A 75 -6.764 -2.140 -13.789 1.00 0.00 O ATOM 830 CB ALA A 75 -7.537 -0.551 -16.586 1.00 0.00 C ATOM 0 H ALA A 75 -6.364 0.783 -14.872 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.032 -0.307 -15.092 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.110 -1.303 -17.129 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.719 0.430 -17.025 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.475 -0.787 -16.652 1.00 0.00 H new ATOM 836 N PRO A 76 -8.793 -2.788 -14.640 1.00 0.00 N ATOM 837 CA PRO A 76 -8.747 -4.120 -14.061 1.00 0.00 C ATOM 838 C PRO A 76 -7.774 -5.017 -14.828 1.00 0.00 C ATOM 839 O PRO A 76 -7.575 -4.841 -16.029 1.00 0.00 O ATOM 840 CB PRO A 76 -10.182 -4.620 -14.111 1.00 0.00 C ATOM 841 CG PRO A 76 -10.892 -3.747 -15.132 1.00 0.00 C ATOM 842 CD PRO A 76 -10.008 -2.543 -15.413 1.00 0.00 C ATOM 0 HA PRO A 76 -8.374 -4.121 -13.037 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.220 -5.670 -14.401 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.657 -4.542 -13.133 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.077 -4.306 -16.049 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.862 -3.427 -14.752 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.789 -2.452 -16.477 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.492 -1.616 -15.107 1.00 0.00 H new ATOM 847 N GLY A 77 -7.192 -5.961 -14.103 1.00 0.00 N ATOM 848 CA GLY A 77 -6.245 -6.887 -14.699 1.00 0.00 C ATOM 849 C GLY A 77 -5.025 -6.145 -15.249 1.00 0.00 C ATOM 850 O GLY A 77 -4.735 -6.216 -16.442 1.00 0.00 O ATOM 0 H GLY A 77 -7.359 -6.104 -13.107 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.926 -7.616 -13.954 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.730 -7.442 -15.502 1.00 0.00 H new ATOM 854 N ALA A 78 -4.342 -5.448 -14.352 1.00 0.00 N ATOM 855 CA ALA A 78 -3.161 -4.693 -14.732 1.00 0.00 C ATOM 856 C ALA A 78 -2.072 -4.893 -13.676 1.00 0.00 C ATOM 857 O ALA A 78 -2.166 -5.796 -12.846 1.00 0.00 O ATOM 858 CB ALA A 78 -3.532 -3.220 -14.915 1.00 0.00 C ATOM 0 H ALA A 78 -4.585 -5.391 -13.363 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.768 -5.050 -15.684 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.645 -2.654 -15.200 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.287 -3.129 -15.696 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.929 -2.826 -13.979 1.00 0.00 H new ATOM 864 N LEU A 79 -1.064 -4.035 -13.741 1.00 0.00 N ATOM 865 CA LEU A 79 0.041 -4.106 -12.802 1.00 0.00 C ATOM 866 C LEU A 79 0.383 -2.698 -12.313 1.00 0.00 C ATOM 867 O LEU A 79 0.995 -1.917 -13.040 1.00 0.00 O ATOM 868 CB LEU A 79 1.227 -4.845 -13.425 1.00 0.00 C ATOM 869 CG LEU A 79 1.759 -6.046 -12.639 1.00 0.00 C ATOM 870 CD1 LEU A 79 2.165 -5.637 -11.222 1.00 0.00 C ATOM 871 CD2 LEU A 79 0.744 -7.191 -12.637 1.00 0.00 C ATOM 0 H LEU A 79 -0.990 -3.287 -14.430 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.243 -4.687 -11.925 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.935 -5.187 -14.418 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.042 -4.134 -13.559 1.00 0.00 H new ATOM 0 HG LEU A 79 2.657 -6.412 -13.138 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.539 -6.508 -10.685 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.946 -4.878 -11.272 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.299 -5.232 -10.698 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.146 -8.032 -12.072 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.184 -6.854 -12.175 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.546 -7.504 -13.662 1.00 0.00 H new ATOM 882 N VAL A 80 -0.031 -2.415 -11.086 1.00 0.00 N ATOM 883 CA VAL A 80 0.224 -1.113 -10.492 1.00 0.00 C ATOM 884 C VAL A 80 1.484 -1.188 -9.628 1.00 0.00 C ATOM 885 O VAL A 80 1.426 -0.965 -8.420 1.00 0.00 O ATOM 886 CB VAL A 80 -1.008 -0.643 -9.715 1.00 0.00 C ATOM 887 CG1 VAL A 80 -0.650 0.493 -8.756 1.00 0.00 C ATOM 888 CG2 VAL A 80 -2.130 -0.226 -10.666 1.00 0.00 C ATOM 0 H VAL A 80 -0.541 -3.065 -10.487 1.00 0.00 H new ATOM 0 HA VAL A 80 0.407 -0.369 -11.267 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.369 -1.482 -9.120 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.543 0.809 -8.216 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.100 0.146 -8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.252 1.335 -9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.993 0.104 -10.088 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.785 0.591 -11.300 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.413 -1.074 -11.289 1.00 0.00 H new ATOM 898 N GLU A 81 2.593 -1.504 -10.281 1.00 0.00 N ATOM 899 CA GLU A 81 3.864 -1.612 -9.587 1.00 0.00 C ATOM 900 C GLU A 81 4.673 -0.324 -9.759 1.00 0.00 C ATOM 901 O GLU A 81 4.463 0.423 -10.713 1.00 0.00 O ATOM 902 CB GLU A 81 4.656 -2.826 -10.077 1.00 0.00 C ATOM 903 CG GLU A 81 5.098 -2.641 -11.531 1.00 0.00 C ATOM 904 CD GLU A 81 5.568 -3.967 -12.133 1.00 0.00 C ATOM 905 OE1 GLU A 81 6.391 -4.632 -11.468 1.00 0.00 O ATOM 906 OE2 GLU A 81 5.094 -4.285 -13.245 1.00 0.00 O ATOM 0 H GLU A 81 2.637 -1.689 -11.283 1.00 0.00 H new ATOM 0 HA GLU A 81 3.665 -1.755 -8.525 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.530 -2.974 -9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.044 -3.724 -9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.271 -2.243 -12.119 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.904 -1.909 -11.580 1.00 0.00 H new ATOM 911 N ARG A 82 5.582 -0.104 -8.820 1.00 0.00 N ATOM 912 CA ARG A 82 6.423 1.080 -8.855 1.00 0.00 C ATOM 913 C ARG A 82 7.637 0.895 -7.943 1.00 0.00 C ATOM 914 O ARG A 82 7.543 0.251 -6.900 1.00 0.00 O ATOM 915 CB ARG A 82 5.646 2.322 -8.413 1.00 0.00 C ATOM 916 CG ARG A 82 4.894 2.062 -7.107 1.00 0.00 C ATOM 917 CD ARG A 82 3.877 3.170 -6.830 1.00 0.00 C ATOM 918 NE ARG A 82 2.856 3.200 -7.901 1.00 0.00 N ATOM 919 CZ ARG A 82 2.958 3.938 -9.015 1.00 0.00 C ATOM 920 NH1 ARG A 82 4.036 4.710 -9.211 1.00 0.00 N ATOM 921 NH2 ARG A 82 1.983 3.903 -9.934 1.00 0.00 N ATOM 0 H ARG A 82 5.754 -0.726 -8.030 1.00 0.00 H new ATOM 0 HA ARG A 82 6.755 1.221 -9.884 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.333 3.157 -8.281 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.940 2.610 -9.192 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.384 1.101 -7.162 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.603 1.999 -6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.399 3.003 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.383 4.133 -6.772 1.00 0.00 H new ATOM 0 HE ARG A 82 2.023 2.623 -7.784 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.779 4.736 -8.512 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.114 5.272 -10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.163 3.315 -9.786 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.061 4.465 -10.782 1.00 0.00 H new ATOM 1166 N ALA A 99 8.148 -2.540 -5.515 1.00 0.00 N ATOM 1167 CA ALA A 99 6.990 -3.338 -5.151 1.00 0.00 C ATOM 1168 C ALA A 99 6.026 -3.402 -6.337 1.00 0.00 C ATOM 1169 O ALA A 99 6.200 -2.686 -7.322 1.00 0.00 O ATOM 1170 CB ALA A 99 6.335 -2.748 -3.900 1.00 0.00 C ATOM 0 HA ALA A 99 7.288 -4.359 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.466 -3.347 -3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.051 -2.752 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.021 -1.724 -4.102 1.00 0.00 H new ATOM 1176 N TYR A 100 5.032 -4.268 -6.205 1.00 0.00 N ATOM 1177 CA TYR A 100 4.041 -4.435 -7.255 1.00 0.00 C ATOM 1178 C TYR A 100 2.640 -4.603 -6.664 1.00 0.00 C ATOM 1179 O TYR A 100 2.478 -5.201 -5.601 1.00 0.00 O ATOM 1180 CB TYR A 100 4.425 -5.716 -7.998 1.00 0.00 C ATOM 1181 CG TYR A 100 5.195 -6.724 -7.142 1.00 0.00 C ATOM 1182 CD1 TYR A 100 6.496 -6.459 -6.766 1.00 0.00 C ATOM 1183 CD2 TYR A 100 4.589 -7.900 -6.747 1.00 0.00 C ATOM 1184 CE1 TYR A 100 7.221 -7.407 -5.961 1.00 0.00 C ATOM 1185 CE2 TYR A 100 5.314 -8.848 -5.941 1.00 0.00 C ATOM 1186 CZ TYR A 100 6.594 -8.556 -5.588 1.00 0.00 C ATOM 1187 OH TYR A 100 7.278 -9.451 -4.828 1.00 0.00 O ATOM 0 H TYR A 100 4.891 -4.861 -5.387 1.00 0.00 H new ATOM 0 HA TYR A 100 4.023 -3.563 -7.908 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.519 -6.191 -8.374 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.031 -5.453 -8.865 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.971 -5.540 -7.076 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.571 -8.109 -7.042 1.00 0.00 H new ATOM 0 HE1 TYR A 100 8.239 -7.211 -5.660 1.00 0.00 H new ATOM 0 HE2 TYR A 100 4.851 -9.771 -5.624 1.00 0.00 H new ATOM 0 HH TYR A 100 6.705 -10.223 -4.637 1.00 0.00 H new ATOM 1196 N ARG A 101 1.662 -4.066 -7.378 1.00 0.00 N ATOM 1197 CA ARG A 101 0.280 -4.148 -6.939 1.00 0.00 C ATOM 1198 C ARG A 101 -0.631 -4.505 -8.114 1.00 0.00 C ATOM 1199 O ARG A 101 -1.273 -3.632 -8.694 1.00 0.00 O ATOM 1200 CB ARG A 101 -0.183 -2.825 -6.326 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.071 -2.857 -4.801 1.00 0.00 C ATOM 1202 CD ARG A 101 -0.761 -1.643 -4.174 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.124 -2.008 -3.730 1.00 0.00 N ATOM 1204 CZ ARG A 101 -2.389 -2.959 -2.824 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -1.386 -3.644 -2.259 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.658 -3.224 -2.481 1.00 0.00 N ATOM 0 H ARG A 101 1.800 -3.571 -8.259 1.00 0.00 H new ATOM 0 HA ARG A 101 0.220 -4.928 -6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.419 -2.007 -6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.216 -2.629 -6.614 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.521 -3.773 -4.419 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.979 -2.873 -4.510 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.179 -1.281 -3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.811 -0.829 -4.897 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.911 -1.504 -4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.421 -3.442 -2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -1.588 -4.368 -1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.422 -2.702 -2.910 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.859 -3.948 -1.791 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.658 -5.791 -8.431 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.481 -6.275 -9.527 1.00 0.00 C ATOM 1219 C GLU A 102 -2.962 -6.053 -9.218 1.00 0.00 C ATOM 1220 O GLU A 102 -3.376 -6.121 -8.061 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.196 -7.750 -9.817 1.00 0.00 C ATOM 1222 CG GLU A 102 -2.154 -8.295 -10.877 1.00 0.00 C ATOM 1223 CD GLU A 102 -3.315 -9.052 -10.229 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -3.978 -8.440 -9.363 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -3.515 -10.224 -10.614 1.00 0.00 O ATOM 0 H GLU A 102 -0.123 -6.513 -7.948 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.229 -5.707 -10.423 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.167 -7.865 -10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.295 -8.330 -8.900 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.542 -7.473 -11.479 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.615 -8.958 -11.553 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.722 -5.794 -10.271 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.149 -5.561 -10.126 1.00 0.00 C ATOM 1232 C CYS A 103 -5.894 -6.739 -10.758 1.00 0.00 C ATOM 1233 O CYS A 103 -5.537 -7.193 -11.845 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.570 -4.225 -10.741 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.423 -3.086 -9.590 1.00 0.00 S ATOM 0 H CYS A 103 -3.377 -5.740 -11.229 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.403 -5.495 -9.068 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.684 -3.726 -11.133 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.227 -4.422 -11.588 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.913 -7.202 -10.049 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.711 -8.319 -10.526 1.00 0.00 C ATOM 1241 C LEU A 104 -8.617 -7.843 -11.665 1.00 0.00 C ATOM 1242 O LEU A 104 -8.904 -6.652 -11.778 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.470 -8.968 -9.368 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.856 -10.249 -8.798 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.570 -10.675 -7.514 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -7.843 -11.363 -9.845 1.00 0.00 C ATOM 0 H LEU A 104 -7.204 -6.824 -9.148 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.069 -9.100 -10.933 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.555 -8.239 -8.562 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.483 -9.192 -9.703 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.818 -10.043 -8.535 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.114 -11.588 -7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.482 -9.884 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.623 -10.857 -7.727 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.402 -12.262 -9.414 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.864 -11.576 -10.162 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.254 -11.046 -10.706 1.00 0.00 H new ATOM 1257 N GLU A 105 -9.041 -8.798 -12.479 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.907 -8.492 -13.604 1.00 0.00 C ATOM 1259 C GLU A 105 -11.341 -8.259 -13.123 1.00 0.00 C ATOM 1260 O GLU A 105 -12.236 -8.005 -13.927 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.856 -9.603 -14.655 1.00 0.00 C ATOM 1262 CG GLU A 105 -10.316 -9.090 -16.020 1.00 0.00 C ATOM 1263 CD GLU A 105 -9.958 -10.081 -17.129 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -8.757 -10.412 -17.228 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -10.894 -10.488 -17.851 1.00 0.00 O ATOM 0 H GLU A 105 -8.801 -9.785 -12.382 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.548 -7.576 -14.073 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.840 -9.989 -14.732 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.490 -10.433 -14.342 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.394 -8.928 -16.007 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.851 -8.126 -16.225 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.513 -8.353 -11.813 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.823 -8.157 -11.213 1.00 0.00 C ATOM 1272 C ASN A 106 -12.964 -6.698 -10.775 1.00 0.00 C ATOM 1273 O ASN A 106 -14.010 -6.297 -10.266 1.00 0.00 O ATOM 1274 CB ASN A 106 -13.002 -9.041 -9.979 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.288 -9.865 -10.076 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.303 -9.553 -9.475 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.189 -10.931 -10.865 1.00 0.00 N ATOM 0 H ASN A 106 -10.767 -8.562 -11.149 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.577 -8.419 -11.955 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.146 -9.708 -9.878 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.030 -8.420 -9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.993 -11.545 -10.996 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.309 -11.135 -11.339 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.896 -5.943 -10.989 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.888 -4.538 -10.622 1.00 0.00 C ATOM 1285 C GLY A 107 -11.574 -4.361 -9.134 1.00 0.00 C ATOM 1286 O GLY A 107 -12.216 -3.565 -8.451 1.00 0.00 O ATOM 0 H GLY A 107 -11.031 -6.278 -11.412 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -11.147 -4.007 -11.219 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.857 -4.094 -10.848 1.00 0.00 H new ATOM 1290 N THR A 108 -10.587 -5.116 -8.677 1.00 0.00 N ATOM 1291 CA THR A 108 -10.179 -5.053 -7.284 1.00 0.00 C ATOM 1292 C THR A 108 -8.663 -4.875 -7.178 1.00 0.00 C ATOM 1293 O THR A 108 -7.952 -4.980 -8.175 1.00 0.00 O ATOM 1294 CB THR A 108 -10.693 -6.313 -6.583 1.00 0.00 C ATOM 1295 OG1 THR A 108 -10.184 -7.382 -7.377 1.00 0.00 O ATOM 1296 CG2 THR A 108 -12.212 -6.462 -6.687 1.00 0.00 C ATOM 0 H THR A 108 -10.057 -5.775 -9.247 1.00 0.00 H new ATOM 0 HA THR A 108 -10.612 -4.186 -6.785 1.00 0.00 H new ATOM 0 HB THR A 108 -10.402 -6.290 -5.533 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.468 -8.238 -6.994 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.524 -7.371 -6.174 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.695 -5.601 -6.225 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.501 -6.520 -7.736 1.00 0.00 H new ATOM 1304 N TRP A 109 -8.214 -4.607 -5.960 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.796 -4.413 -5.711 1.00 0.00 C ATOM 1306 C TRP A 109 -6.186 -5.774 -5.370 1.00 0.00 C ATOM 1307 O TRP A 109 -6.845 -6.805 -5.497 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.570 -3.366 -4.620 1.00 0.00 C ATOM 1309 CG TRP A 109 -6.457 -1.933 -5.147 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -7.129 -0.849 -4.738 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -5.588 -1.472 -6.203 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.758 0.274 -5.451 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.792 -0.117 -6.370 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -4.661 -2.176 -6.992 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -5.105 0.651 -7.318 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.983 -1.394 -7.935 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -4.177 -0.030 -8.116 1.00 0.00 C ATOM 0 H TRP A 109 -8.808 -4.520 -5.135 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.298 -4.021 -6.598 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.392 -3.416 -3.906 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.659 -3.615 -4.075 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.868 -0.853 -3.950 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.126 1.217 -5.326 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.486 -3.236 -6.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.281 1.711 -7.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -3.258 -1.886 -8.566 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -3.615 0.503 -8.869 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.932 -5.734 -4.942 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.226 -6.950 -4.581 1.00 0.00 C ATOM 1329 C ALA A 110 -4.399 -7.211 -3.083 1.00 0.00 C ATOM 1330 O ALA A 110 -5.470 -6.971 -2.529 1.00 0.00 O ATOM 1331 CB ALA A 110 -2.754 -6.826 -4.984 1.00 0.00 C ATOM 0 H ALA A 110 -4.388 -4.878 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.640 -7.805 -5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.224 -7.739 -4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.683 -6.672 -6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.305 -5.979 -4.466 1.00 0.00 H new ATOM 1337 N SER A 111 -3.329 -7.699 -2.472 1.00 0.00 N ATOM 1338 CA SER A 111 -3.351 -7.995 -1.049 1.00 0.00 C ATOM 1339 C SER A 111 -2.816 -6.799 -0.259 1.00 0.00 C ATOM 1340 O SER A 111 -3.590 -6.013 0.285 1.00 0.00 O ATOM 1341 CB SER A 111 -2.532 -9.248 -0.736 1.00 0.00 C ATOM 1342 OG SER A 111 -3.297 -10.439 -0.897 1.00 0.00 O ATOM 0 H SER A 111 -2.442 -7.897 -2.936 1.00 0.00 H new ATOM 0 HA SER A 111 -4.383 -8.185 -0.753 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.661 -9.285 -1.391 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.160 -9.192 0.287 1.00 0.00 H new ATOM 0 HG SER A 111 -2.738 -11.217 -0.690 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.495 -6.701 -0.218 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.847 -5.614 0.497 1.00 0.00 C ATOM 1349 C ARG A 112 0.573 -5.403 -0.032 1.00 0.00 C ATOM 1350 O ARG A 112 1.518 -5.283 0.747 1.00 0.00 O ATOM 1351 CB ARG A 112 -0.788 -5.903 1.998 1.00 0.00 C ATOM 1352 CG ARG A 112 -0.112 -7.248 2.273 1.00 0.00 C ATOM 1353 CD ARG A 112 -0.706 -7.917 3.513 1.00 0.00 C ATOM 1354 NE ARG A 112 -0.379 -9.360 3.516 1.00 0.00 N ATOM 1355 CZ ARG A 112 -0.848 -10.235 4.416 1.00 0.00 C ATOM 1356 NH1 ARG A 112 -1.666 -9.819 5.391 1.00 0.00 N ATOM 1357 NH2 ARG A 112 -0.498 -11.527 4.340 1.00 0.00 N ATOM 0 H ARG A 112 -0.856 -7.356 -0.668 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.436 -4.711 0.335 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.241 -5.107 2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.797 -5.908 2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.232 -7.903 1.410 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.959 -7.099 2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.314 -7.445 4.414 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.787 -7.781 3.527 1.00 0.00 H new ATOM 0 HE ARG A 112 0.242 -9.711 2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.932 -8.836 5.449 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.023 -10.485 6.076 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.125 -11.844 3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.855 -12.193 5.025 1.00 0.00 H new ATOM 1368 N VAL A 113 0.679 -5.365 -1.352 1.00 0.00 N ATOM 1369 CA VAL A 113 1.969 -5.171 -1.993 1.00 0.00 C ATOM 1370 C VAL A 113 2.980 -6.155 -1.404 1.00 0.00 C ATOM 1371 O VAL A 113 2.649 -6.928 -0.507 1.00 0.00 O ATOM 1372 CB VAL A 113 2.406 -3.711 -1.858 1.00 0.00 C ATOM 1373 CG1 VAL A 113 2.864 -3.407 -0.429 1.00 0.00 C ATOM 1374 CG2 VAL A 113 3.501 -3.371 -2.869 1.00 0.00 C ATOM 0 H VAL A 113 -0.106 -5.465 -1.995 1.00 0.00 H new ATOM 0 HA VAL A 113 1.900 -5.378 -3.061 1.00 0.00 H new ATOM 0 HB VAL A 113 1.544 -3.081 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.170 -2.363 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.043 -3.592 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.706 -4.049 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.793 -2.328 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.366 -4.012 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.125 -3.531 -3.880 1.00 0.00 H new