USER MOD reduce.3.24.130724 H: found=0, std=0, add=211, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 211 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 50 SER OG : rot 180:sc= -0.167 USER MOD Single : A 51 CYS SG : rot 80:sc= 0.252 USER MOD Single : A 52 SER OG : rot -110:sc= -0.686! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 16:sc= 0.963 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00285 USER MOD Single : A 60 THR OG1 : rot 25:sc= 1.07 USER MOD Single : A 61 ASN : amide:sc= -4.96! C(o=-5!,f=-8!) USER MOD Single : A 66 THR OG1 : rot 5:sc= 0.916 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 99:sc= 1.16 USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= -0.0272 (180deg=-0.36) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 732 N ARG A 49 -44.307 -8.776 -0.255 1.00 0.00 N ATOM 733 CA ARG A 49 -44.496 -8.511 1.205 1.00 0.00 C ATOM 734 C ARG A 49 -43.167 -8.063 1.824 1.00 0.00 C ATOM 735 O ARG A 49 -42.110 -8.527 1.449 1.00 0.00 O ATOM 736 CB ARG A 49 -44.965 -9.796 1.894 1.00 0.00 C ATOM 737 CG ARG A 49 -46.240 -10.303 1.216 1.00 0.00 C ATOM 738 CD ARG A 49 -46.664 -11.628 1.851 1.00 0.00 C ATOM 739 NE ARG A 49 -47.884 -12.141 1.165 1.00 0.00 N ATOM 740 CZ ARG A 49 -48.253 -13.382 1.330 1.00 0.00 C ATOM 741 NH1 ARG A 49 -47.553 -14.174 2.097 1.00 0.00 N ATOM 742 NH2 ARG A 49 -49.320 -13.831 0.729 1.00 0.00 N ATOM 0 HA ARG A 49 -45.241 -7.726 1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -44.185 -10.556 1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -45.153 -9.607 2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -47.037 -9.567 1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -46.068 -10.438 0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -45.857 -12.356 1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -46.863 -11.487 2.913 1.00 0.00 H new ATOM 0 HE ARG A 49 -48.431 -11.522 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -46.719 -13.823 2.567 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -47.841 -15.144 2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -49.866 -13.212 0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -49.608 -14.801 0.858 1.00 0.00 H new ATOM 756 N SER A 50 -43.220 -7.164 2.773 1.00 0.00 N ATOM 757 CA SER A 50 -41.968 -6.679 3.432 1.00 0.00 C ATOM 758 C SER A 50 -41.127 -5.869 2.439 1.00 0.00 C ATOM 759 O SER A 50 -41.399 -5.841 1.255 1.00 0.00 O ATOM 760 CB SER A 50 -41.160 -7.877 3.950 1.00 0.00 C ATOM 761 OG SER A 50 -42.056 -8.886 4.398 1.00 0.00 O ATOM 0 H SER A 50 -44.081 -6.742 3.122 1.00 0.00 H new ATOM 0 HA SER A 50 -42.234 -6.035 4.271 1.00 0.00 H new ATOM 0 HB2 SER A 50 -40.519 -8.268 3.160 1.00 0.00 H new ATOM 0 HB3 SER A 50 -40.507 -7.565 4.765 1.00 0.00 H new ATOM 0 HG SER A 50 -41.545 -9.654 4.728 1.00 0.00 H new ATOM 767 N CYS A 51 -40.105 -5.206 2.917 1.00 0.00 N ATOM 768 CA CYS A 51 -39.242 -4.392 2.012 1.00 0.00 C ATOM 769 C CYS A 51 -38.682 -5.287 0.900 1.00 0.00 C ATOM 770 O CYS A 51 -38.988 -5.115 -0.263 1.00 0.00 O ATOM 771 CB CYS A 51 -38.089 -3.776 2.823 1.00 0.00 C ATOM 772 SG CYS A 51 -38.628 -3.511 4.531 1.00 0.00 S ATOM 0 H CYS A 51 -39.831 -5.194 3.899 1.00 0.00 H new ATOM 0 HA CYS A 51 -39.831 -3.592 1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -37.222 -4.436 2.802 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -37.781 -2.831 2.377 1.00 0.00 H new ATOM 0 HG CYS A 51 -38.566 -4.633 5.185 1.00 0.00 H new ATOM 777 N SER A 52 -37.863 -6.239 1.256 1.00 0.00 N ATOM 778 CA SER A 52 -37.279 -7.152 0.233 1.00 0.00 C ATOM 779 C SER A 52 -38.419 -7.862 -0.510 1.00 0.00 C ATOM 780 O SER A 52 -39.538 -7.388 -0.522 1.00 0.00 O ATOM 781 CB SER A 52 -36.385 -8.176 0.939 1.00 0.00 C ATOM 782 OG SER A 52 -36.073 -9.235 0.044 1.00 0.00 O ATOM 0 H SER A 52 -37.572 -6.424 2.216 1.00 0.00 H new ATOM 0 HA SER A 52 -36.682 -6.590 -0.486 1.00 0.00 H new ATOM 0 HB2 SER A 52 -35.469 -7.697 1.285 1.00 0.00 H new ATOM 0 HB3 SER A 52 -36.891 -8.569 1.821 1.00 0.00 H new ATOM 0 HG SER A 52 -36.533 -10.051 0.330 1.00 0.00 H new ATOM 788 N LYS A 53 -38.157 -9.002 -1.110 1.00 0.00 N ATOM 789 CA LYS A 53 -39.238 -9.746 -1.830 1.00 0.00 C ATOM 790 C LYS A 53 -39.351 -11.145 -1.228 1.00 0.00 C ATOM 791 O LYS A 53 -38.570 -12.027 -1.525 1.00 0.00 O ATOM 792 CB LYS A 53 -38.886 -9.853 -3.316 1.00 0.00 C ATOM 793 CG LYS A 53 -40.044 -10.516 -4.065 1.00 0.00 C ATOM 794 CD LYS A 53 -39.754 -10.513 -5.567 1.00 0.00 C ATOM 795 CE LYS A 53 -40.909 -11.188 -6.310 1.00 0.00 C ATOM 796 NZ LYS A 53 -40.670 -11.107 -7.779 1.00 0.00 N ATOM 0 H LYS A 53 -37.240 -9.448 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 53 -40.186 -9.218 -1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -38.692 -8.863 -3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -37.974 -10.436 -3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -40.180 -11.539 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -40.973 -9.983 -3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -39.627 -9.490 -5.922 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -38.821 -11.038 -5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -40.994 -12.230 -6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -41.851 -10.702 -6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -41.455 -11.566 -8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -40.609 -10.109 -8.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -39.779 -11.589 -8.013 1.00 0.00 H new ATOM 810 N VAL A 54 -40.322 -11.345 -0.374 1.00 0.00 N ATOM 811 CA VAL A 54 -40.518 -12.674 0.279 1.00 0.00 C ATOM 812 C VAL A 54 -41.957 -13.142 0.066 1.00 0.00 C ATOM 813 O VAL A 54 -42.900 -12.489 0.468 1.00 0.00 O ATOM 814 CB VAL A 54 -40.236 -12.535 1.780 1.00 0.00 C ATOM 815 CG1 VAL A 54 -41.299 -11.642 2.440 1.00 0.00 C ATOM 816 CG2 VAL A 54 -40.249 -13.922 2.435 1.00 0.00 C ATOM 0 H VAL A 54 -40.997 -10.632 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 54 -39.838 -13.406 -0.157 1.00 0.00 H new ATOM 0 HB VAL A 54 -39.257 -12.076 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -41.087 -11.551 3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -41.280 -10.654 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -42.284 -12.087 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -40.048 -13.822 3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -41.226 -14.383 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -39.482 -14.547 1.978 1.00 0.00 H new ATOM 826 N ILE A 55 -42.129 -14.276 -0.566 1.00 0.00 N ATOM 827 CA ILE A 55 -43.500 -14.821 -0.815 1.00 0.00 C ATOM 828 C ILE A 55 -43.572 -16.254 -0.282 1.00 0.00 C ATOM 829 O ILE A 55 -42.689 -17.062 -0.504 1.00 0.00 O ATOM 830 CB ILE A 55 -43.793 -14.823 -2.321 1.00 0.00 C ATOM 831 CG1 ILE A 55 -42.570 -15.364 -3.103 1.00 0.00 C ATOM 832 CG2 ILE A 55 -44.114 -13.393 -2.776 1.00 0.00 C ATOM 833 CD1 ILE A 55 -43.046 -16.109 -4.352 1.00 0.00 C ATOM 0 H ILE A 55 -41.369 -14.854 -0.924 1.00 0.00 H new ATOM 0 HA ILE A 55 -44.237 -14.198 -0.308 1.00 0.00 H new ATOM 0 HB ILE A 55 -44.647 -15.470 -2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -41.914 -14.541 -3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -41.987 -16.032 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -44.323 -13.390 -3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -44.986 -13.026 -2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -43.261 -12.746 -2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -42.184 -16.488 -4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -43.684 -16.942 -4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -43.610 -15.428 -4.989 1.00 0.00 H new ATOM 845 N THR A 56 -44.622 -16.571 0.427 1.00 0.00 N ATOM 846 CA THR A 56 -44.782 -17.945 0.991 1.00 0.00 C ATOM 847 C THR A 56 -46.189 -18.454 0.693 1.00 0.00 C ATOM 848 O THR A 56 -47.164 -17.939 1.202 1.00 0.00 O ATOM 849 CB THR A 56 -44.567 -17.904 2.506 1.00 0.00 C ATOM 850 OG1 THR A 56 -45.611 -17.153 3.110 1.00 0.00 O ATOM 851 CG2 THR A 56 -43.220 -17.250 2.817 1.00 0.00 C ATOM 0 H THR A 56 -45.385 -15.930 0.642 1.00 0.00 H new ATOM 0 HA THR A 56 -44.048 -18.612 0.538 1.00 0.00 H new ATOM 0 HB THR A 56 -44.573 -18.920 2.901 1.00 0.00 H new ATOM 0 HG1 THR A 56 -46.353 -17.057 2.477 1.00 0.00 H new ATOM 0 HG21 THR A 56 -43.070 -17.222 3.896 1.00 0.00 H new ATOM 0 HG22 THR A 56 -42.420 -17.827 2.354 1.00 0.00 H new ATOM 0 HG23 THR A 56 -43.209 -16.234 2.423 1.00 0.00 H new ATOM 859 N LYS A 57 -46.291 -19.481 -0.109 1.00 0.00 N ATOM 860 CA LYS A 57 -47.645 -20.071 -0.436 1.00 0.00 C ATOM 861 C LYS A 57 -47.653 -21.545 -0.018 1.00 0.00 C ATOM 862 O LYS A 57 -46.947 -22.361 -0.578 1.00 0.00 O ATOM 863 CB LYS A 57 -47.959 -19.938 -1.950 1.00 0.00 C ATOM 864 CG LYS A 57 -47.182 -18.755 -2.534 1.00 0.00 C ATOM 865 CD LYS A 57 -47.646 -18.506 -3.971 1.00 0.00 C ATOM 866 CE LYS A 57 -46.947 -17.266 -4.528 1.00 0.00 C ATOM 867 NZ LYS A 57 -47.531 -16.921 -5.855 1.00 0.00 N ATOM 0 H LYS A 57 -45.501 -19.945 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 57 -48.416 -19.526 0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -47.687 -20.857 -2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -49.029 -19.792 -2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -47.344 -17.864 -1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -46.112 -18.963 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -47.420 -19.373 -4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -48.727 -18.369 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -47.063 -16.429 -3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -45.877 -17.452 -4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -47.056 -16.077 -6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -47.398 -17.718 -6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -48.547 -16.727 -5.747 1.00 0.00 H new ATOM 881 N THR A 58 -48.442 -21.883 0.971 1.00 0.00 N ATOM 882 CA THR A 58 -48.507 -23.300 1.453 1.00 0.00 C ATOM 883 C THR A 58 -49.929 -23.838 1.299 1.00 0.00 C ATOM 884 O THR A 58 -50.896 -23.163 1.596 1.00 0.00 O ATOM 885 CB THR A 58 -48.115 -23.345 2.933 1.00 0.00 C ATOM 886 OG1 THR A 58 -49.144 -22.750 3.711 1.00 0.00 O ATOM 887 CG2 THR A 58 -46.807 -22.579 3.144 1.00 0.00 C ATOM 0 H THR A 58 -49.050 -21.233 1.470 1.00 0.00 H new ATOM 0 HA THR A 58 -47.823 -23.911 0.864 1.00 0.00 H new ATOM 0 HB THR A 58 -47.978 -24.382 3.240 1.00 0.00 H new ATOM 0 HG1 THR A 58 -48.896 -22.779 4.659 1.00 0.00 H new ATOM 0 HG21 THR A 58 -46.531 -22.613 4.198 1.00 0.00 H new ATOM 0 HG22 THR A 58 -46.017 -23.036 2.547 1.00 0.00 H new ATOM 0 HG23 THR A 58 -46.939 -21.542 2.837 1.00 0.00 H new ATOM 895 N VAL A 59 -50.057 -25.063 0.855 1.00 0.00 N ATOM 896 CA VAL A 59 -51.412 -25.690 0.694 1.00 0.00 C ATOM 897 C VAL A 59 -51.381 -27.074 1.344 1.00 0.00 C ATOM 898 O VAL A 59 -50.530 -27.884 1.040 1.00 0.00 O ATOM 899 CB VAL A 59 -51.786 -25.799 -0.798 1.00 0.00 C ATOM 900 CG1 VAL A 59 -51.428 -24.495 -1.517 1.00 0.00 C ATOM 901 CG2 VAL A 59 -51.046 -26.968 -1.470 1.00 0.00 C ATOM 0 H VAL A 59 -49.275 -25.664 0.594 1.00 0.00 H new ATOM 0 HA VAL A 59 -52.167 -25.070 1.177 1.00 0.00 H new ATOM 0 HB VAL A 59 -52.859 -25.981 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -51.694 -24.576 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -51.978 -23.668 -1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -50.357 -24.311 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -51.329 -27.021 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -49.970 -26.811 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -51.314 -27.901 -0.975 1.00 0.00 H new ATOM 911 N THR A 60 -52.291 -27.338 2.250 1.00 0.00 N ATOM 912 CA THR A 60 -52.317 -28.664 2.951 1.00 0.00 C ATOM 913 C THR A 60 -53.499 -29.504 2.459 1.00 0.00 C ATOM 914 O THR A 60 -54.643 -29.208 2.743 1.00 0.00 O ATOM 915 CB THR A 60 -52.465 -28.431 4.457 1.00 0.00 C ATOM 916 OG1 THR A 60 -53.738 -27.858 4.722 1.00 0.00 O ATOM 917 CG2 THR A 60 -51.367 -27.482 4.939 1.00 0.00 C ATOM 0 H THR A 60 -53.023 -26.688 2.537 1.00 0.00 H new ATOM 0 HA THR A 60 -51.389 -29.195 2.738 1.00 0.00 H new ATOM 0 HB THR A 60 -52.376 -29.382 4.983 1.00 0.00 H new ATOM 0 HG1 THR A 60 -54.360 -28.095 4.002 1.00 0.00 H new ATOM 0 HG21 THR A 60 -51.474 -27.317 6.011 1.00 0.00 H new ATOM 0 HG22 THR A 60 -50.391 -27.922 4.735 1.00 0.00 H new ATOM 0 HG23 THR A 60 -51.453 -26.530 4.415 1.00 0.00 H new ATOM 925 N ASN A 61 -53.228 -30.562 1.732 1.00 0.00 N ATOM 926 CA ASN A 61 -54.339 -31.447 1.222 1.00 0.00 C ATOM 927 C ASN A 61 -54.443 -32.701 2.141 1.00 0.00 C ATOM 928 O ASN A 61 -53.443 -33.167 2.651 1.00 0.00 O ATOM 929 CB ASN A 61 -54.041 -31.864 -0.232 1.00 0.00 C ATOM 930 CG ASN A 61 -53.383 -30.694 -0.966 1.00 0.00 C ATOM 931 OD1 ASN A 61 -52.573 -30.893 -1.848 1.00 0.00 O ATOM 932 ND2 ASN A 61 -53.701 -29.472 -0.635 1.00 0.00 N ATOM 0 H ASN A 61 -52.288 -30.856 1.467 1.00 0.00 H new ATOM 0 HA ASN A 61 -55.287 -30.910 1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -53.384 -32.734 -0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -54.963 -32.153 -0.736 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -53.269 -28.684 -1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -54.382 -29.305 0.106 1.00 0.00 H new ATOM 939 N ALA A 62 -55.634 -33.230 2.406 1.00 0.00 N ATOM 940 CA ALA A 62 -55.755 -34.402 3.335 1.00 0.00 C ATOM 941 C ALA A 62 -55.119 -35.681 2.770 1.00 0.00 C ATOM 942 O ALA A 62 -54.631 -36.505 3.518 1.00 0.00 O ATOM 943 CB ALA A 62 -57.237 -34.667 3.606 1.00 0.00 C ATOM 0 H ALA A 62 -56.516 -32.896 2.017 1.00 0.00 H new ATOM 0 HA ALA A 62 -55.219 -34.148 4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -57.337 -35.517 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -57.686 -33.786 4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -57.745 -34.887 2.667 1.00 0.00 H new ATOM 949 N ASP A 63 -55.137 -35.890 1.483 1.00 0.00 N ATOM 950 CA ASP A 63 -54.555 -37.151 0.939 1.00 0.00 C ATOM 951 C ASP A 63 -53.046 -37.179 1.184 1.00 0.00 C ATOM 952 O ASP A 63 -52.358 -38.095 0.779 1.00 0.00 O ATOM 953 CB ASP A 63 -54.826 -37.227 -0.566 1.00 0.00 C ATOM 954 CG ASP A 63 -54.179 -38.489 -1.139 1.00 0.00 C ATOM 955 OD1 ASP A 63 -54.817 -39.529 -1.096 1.00 0.00 O ATOM 956 OD2 ASP A 63 -53.058 -38.396 -1.610 1.00 0.00 O ATOM 0 H ASP A 63 -55.525 -35.250 0.790 1.00 0.00 H new ATOM 0 HA ASP A 63 -55.015 -38.003 1.441 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -55.900 -37.240 -0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -54.426 -36.343 -1.063 1.00 0.00 H new ATOM 961 N GLY A 64 -52.531 -36.199 1.871 1.00 0.00 N ATOM 962 CA GLY A 64 -51.067 -36.179 2.180 1.00 0.00 C ATOM 963 C GLY A 64 -50.305 -35.331 1.152 1.00 0.00 C ATOM 964 O GLY A 64 -49.092 -35.271 1.179 1.00 0.00 O ATOM 0 H GLY A 64 -53.060 -35.406 2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -50.907 -35.777 3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -50.677 -37.197 2.180 1.00 0.00 H new ATOM 968 N ARG A 65 -50.990 -34.653 0.259 1.00 0.00 N ATOM 969 CA ARG A 65 -50.268 -33.800 -0.734 1.00 0.00 C ATOM 970 C ARG A 65 -50.183 -32.387 -0.161 1.00 0.00 C ATOM 971 O ARG A 65 -51.181 -31.716 -0.005 1.00 0.00 O ATOM 972 CB ARG A 65 -51.036 -33.784 -2.062 1.00 0.00 C ATOM 973 CG ARG A 65 -50.128 -33.258 -3.175 1.00 0.00 C ATOM 974 CD ARG A 65 -50.888 -33.280 -4.504 1.00 0.00 C ATOM 975 NE ARG A 65 -49.992 -32.814 -5.599 1.00 0.00 N ATOM 976 CZ ARG A 65 -50.317 -33.031 -6.844 1.00 0.00 C ATOM 977 NH1 ARG A 65 -51.425 -33.656 -7.130 1.00 0.00 N ATOM 978 NH2 ARG A 65 -49.532 -32.622 -7.804 1.00 0.00 N ATOM 0 H ARG A 65 -52.007 -34.654 0.177 1.00 0.00 H new ATOM 0 HA ARG A 65 -49.269 -34.193 -0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -51.382 -34.789 -2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -51.922 -33.155 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -49.804 -32.243 -2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -49.230 -33.871 -3.247 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -51.243 -34.289 -4.715 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -51.768 -32.639 -4.442 1.00 0.00 H new ATOM 0 HE ARG A 65 -49.125 -32.326 -5.376 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -52.038 -33.976 -6.380 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -51.678 -33.825 -8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -48.665 -32.133 -7.581 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -49.786 -32.791 -8.777 1.00 0.00 H new ATOM 992 N THR A 66 -49.000 -31.934 0.176 1.00 0.00 N ATOM 993 CA THR A 66 -48.853 -30.571 0.763 1.00 0.00 C ATOM 994 C THR A 66 -47.626 -29.883 0.170 1.00 0.00 C ATOM 995 O THR A 66 -46.504 -30.303 0.380 1.00 0.00 O ATOM 996 CB THR A 66 -48.683 -30.699 2.277 1.00 0.00 C ATOM 997 OG1 THR A 66 -47.377 -31.178 2.565 1.00 0.00 O ATOM 998 CG2 THR A 66 -49.721 -31.679 2.828 1.00 0.00 C ATOM 0 H THR A 66 -48.129 -32.453 0.068 1.00 0.00 H new ATOM 0 HA THR A 66 -49.739 -29.977 0.537 1.00 0.00 H new ATOM 0 HB THR A 66 -48.825 -29.724 2.743 1.00 0.00 H new ATOM 0 HG1 THR A 66 -46.861 -31.240 1.734 1.00 0.00 H new ATOM 0 HG21 THR A 66 -49.599 -31.770 3.907 1.00 0.00 H new ATOM 0 HG22 THR A 66 -50.723 -31.311 2.606 1.00 0.00 H new ATOM 0 HG23 THR A 66 -49.582 -32.655 2.364 1.00 0.00 H new ATOM 1006 N GLU A 67 -47.829 -28.830 -0.581 1.00 0.00 N ATOM 1007 CA GLU A 67 -46.675 -28.109 -1.205 1.00 0.00 C ATOM 1008 C GLU A 67 -46.330 -26.864 -0.384 1.00 0.00 C ATOM 1009 O GLU A 67 -47.186 -26.064 -0.062 1.00 0.00 O ATOM 1010 CB GLU A 67 -47.057 -27.684 -2.625 1.00 0.00 C ATOM 1011 CG GLU A 67 -47.491 -28.913 -3.427 1.00 0.00 C ATOM 1012 CD GLU A 67 -47.929 -28.479 -4.828 1.00 0.00 C ATOM 1013 OE1 GLU A 67 -48.714 -27.549 -4.920 1.00 0.00 O ATOM 1014 OE2 GLU A 67 -47.472 -29.084 -5.783 1.00 0.00 O ATOM 0 H GLU A 67 -48.747 -28.437 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 67 -45.810 -28.772 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -47.866 -26.954 -2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -46.210 -27.200 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -46.668 -29.625 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -48.311 -29.421 -2.919 1.00 0.00 H new ATOM 1021 N THR A 68 -45.072 -26.692 -0.051 1.00 0.00 N ATOM 1022 CA THR A 68 -44.645 -25.496 0.744 1.00 0.00 C ATOM 1023 C THR A 68 -43.888 -24.536 -0.175 1.00 0.00 C ATOM 1024 O THR A 68 -42.771 -24.794 -0.576 1.00 0.00 O ATOM 1025 CB THR A 68 -43.732 -25.973 1.901 1.00 0.00 C ATOM 1026 OG1 THR A 68 -43.915 -27.369 2.085 1.00 0.00 O ATOM 1027 CG2 THR A 68 -44.084 -25.247 3.208 1.00 0.00 C ATOM 0 H THR A 68 -44.318 -27.333 -0.298 1.00 0.00 H new ATOM 0 HA THR A 68 -45.509 -24.979 1.160 1.00 0.00 H new ATOM 0 HB THR A 68 -42.696 -25.751 1.645 1.00 0.00 H new ATOM 0 HG1 THR A 68 -43.340 -27.681 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 68 -43.430 -25.598 4.007 1.00 0.00 H new ATOM 0 HG22 THR A 68 -43.951 -24.173 3.075 1.00 0.00 H new ATOM 0 HG23 THR A 68 -45.121 -25.454 3.471 1.00 0.00 H new ATOM 1035 N THR A 69 -44.488 -23.419 -0.496 1.00 0.00 N ATOM 1036 CA THR A 69 -43.809 -22.425 -1.369 1.00 0.00 C ATOM 1037 C THR A 69 -43.161 -21.382 -0.461 1.00 0.00 C ATOM 1038 O THR A 69 -42.994 -20.235 -0.820 1.00 0.00 O ATOM 1039 CB THR A 69 -44.838 -21.768 -2.297 1.00 0.00 C ATOM 1040 OG1 THR A 69 -45.718 -22.765 -2.798 1.00 0.00 O ATOM 1041 CG2 THR A 69 -44.126 -21.084 -3.468 1.00 0.00 C ATOM 0 H THR A 69 -45.424 -23.155 -0.188 1.00 0.00 H new ATOM 0 HA THR A 69 -43.051 -22.902 -1.990 1.00 0.00 H new ATOM 0 HB THR A 69 -45.402 -21.022 -1.738 1.00 0.00 H new ATOM 0 HG1 THR A 69 -46.548 -22.760 -2.278 1.00 0.00 H new ATOM 0 HG21 THR A 69 -44.864 -20.620 -4.122 1.00 0.00 H new ATOM 0 HG22 THR A 69 -43.449 -20.320 -3.086 1.00 0.00 H new ATOM 0 HG23 THR A 69 -43.557 -21.824 -4.031 1.00 0.00 H new ATOM 1049 N LYS A 70 -42.800 -21.797 0.725 1.00 0.00 N ATOM 1050 CA LYS A 70 -42.146 -20.858 1.688 1.00 0.00 C ATOM 1051 C LYS A 70 -40.795 -20.430 1.112 1.00 0.00 C ATOM 1052 O LYS A 70 -39.753 -20.784 1.626 1.00 0.00 O ATOM 1053 CB LYS A 70 -41.924 -21.560 3.034 1.00 0.00 C ATOM 1054 CG LYS A 70 -41.385 -22.973 2.795 1.00 0.00 C ATOM 1055 CD LYS A 70 -40.933 -23.577 4.127 1.00 0.00 C ATOM 1056 CE LYS A 70 -40.291 -24.944 3.876 1.00 0.00 C ATOM 1057 NZ LYS A 70 -38.985 -24.760 3.183 1.00 0.00 N ATOM 0 H LYS A 70 -42.930 -22.748 1.070 1.00 0.00 H new ATOM 0 HA LYS A 70 -42.784 -19.988 1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -41.221 -20.990 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -42.860 -21.607 3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -42.156 -23.597 2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -40.550 -22.942 2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -40.220 -22.913 4.616 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -41.785 -23.681 4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -40.143 -25.467 4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -40.953 -25.563 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -38.402 -25.612 3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -39.150 -24.601 2.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -38.491 -23.939 3.586 1.00 0.00 H new ATOM 1071 N GLU A 71 -40.804 -19.678 0.038 1.00 0.00 N ATOM 1072 CA GLU A 71 -39.519 -19.235 -0.591 1.00 0.00 C ATOM 1073 C GLU A 71 -39.253 -17.764 -0.261 1.00 0.00 C ATOM 1074 O GLU A 71 -40.161 -17.012 0.034 1.00 0.00 O ATOM 1075 CB GLU A 71 -39.624 -19.397 -2.109 1.00 0.00 C ATOM 1076 CG GLU A 71 -39.851 -20.871 -2.448 1.00 0.00 C ATOM 1077 CD GLU A 71 -39.933 -21.039 -3.967 1.00 0.00 C ATOM 1078 OE1 GLU A 71 -38.979 -20.678 -4.635 1.00 0.00 O ATOM 1079 OE2 GLU A 71 -40.949 -21.528 -4.435 1.00 0.00 O ATOM 0 H GLU A 71 -41.648 -19.351 -0.432 1.00 0.00 H new ATOM 0 HA GLU A 71 -38.701 -19.843 -0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -40.446 -18.793 -2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -38.713 -19.038 -2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -39.038 -21.477 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -40.771 -21.225 -1.982 1.00 0.00 H new ATOM 1086 N VAL A 72 -38.010 -17.347 -0.322 1.00 0.00 N ATOM 1087 CA VAL A 72 -37.656 -15.926 -0.034 1.00 0.00 C ATOM 1088 C VAL A 72 -36.822 -15.401 -1.196 1.00 0.00 C ATOM 1089 O VAL A 72 -35.819 -15.986 -1.556 1.00 0.00 O ATOM 1090 CB VAL A 72 -36.846 -15.847 1.264 1.00 0.00 C ATOM 1091 CG1 VAL A 72 -35.590 -16.719 1.151 1.00 0.00 C ATOM 1092 CG2 VAL A 72 -36.439 -14.393 1.521 1.00 0.00 C ATOM 0 H VAL A 72 -37.217 -17.942 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 72 -38.559 -15.327 0.083 1.00 0.00 H new ATOM 0 HB VAL A 72 -37.457 -16.208 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -35.020 -16.657 2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -35.881 -17.754 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -34.975 -16.366 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -35.862 -14.334 2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -35.832 -14.033 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -37.333 -13.776 1.611 1.00 0.00 H new ATOM 1102 N VAL A 73 -37.226 -14.310 -1.795 1.00 0.00 N ATOM 1103 CA VAL A 73 -36.451 -13.751 -2.947 1.00 0.00 C ATOM 1104 C VAL A 73 -35.720 -12.489 -2.502 1.00 0.00 C ATOM 1105 O VAL A 73 -36.264 -11.634 -1.829 1.00 0.00 O ATOM 1106 CB VAL A 73 -37.392 -13.408 -4.103 1.00 0.00 C ATOM 1107 CG1 VAL A 73 -36.603 -12.710 -5.217 1.00 0.00 C ATOM 1108 CG2 VAL A 73 -38.026 -14.692 -4.660 1.00 0.00 C ATOM 0 H VAL A 73 -38.059 -13.781 -1.537 1.00 0.00 H new ATOM 0 HA VAL A 73 -35.732 -14.498 -3.283 1.00 0.00 H new ATOM 0 HB VAL A 73 -38.177 -12.746 -3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -37.274 -12.466 -6.040 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -36.157 -11.794 -4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -35.815 -13.373 -5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -38.695 -14.440 -5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -37.242 -15.358 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -38.591 -15.190 -3.872 1.00 0.00 H new ATOM 1118 N LYS A 74 -34.489 -12.389 -2.885 1.00 0.00 N ATOM 1119 CA LYS A 74 -33.657 -11.191 -2.514 1.00 0.00 C ATOM 1120 C LYS A 74 -33.359 -11.224 -1.012 1.00 0.00 C ATOM 1121 O LYS A 74 -33.038 -12.256 -0.456 1.00 0.00 O ATOM 1122 CB LYS A 74 -34.422 -9.901 -2.866 1.00 0.00 C ATOM 1123 CG LYS A 74 -33.433 -8.748 -3.071 1.00 0.00 C ATOM 1124 CD LYS A 74 -34.198 -7.423 -3.140 1.00 0.00 C ATOM 1125 CE LYS A 74 -33.208 -6.269 -3.303 1.00 0.00 C ATOM 1126 NZ LYS A 74 -33.957 -4.989 -3.456 1.00 0.00 N ATOM 0 H LYS A 74 -34.004 -13.088 -3.447 1.00 0.00 H new ATOM 0 HA LYS A 74 -32.719 -11.213 -3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -35.011 -10.052 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -35.122 -9.654 -2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -32.714 -8.722 -2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -32.866 -8.901 -3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -34.897 -7.438 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -34.788 -7.284 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -32.549 -6.216 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -32.575 -6.439 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -33.284 -4.204 -3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -34.568 -5.043 -4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -34.542 -4.826 -2.612 1.00 0.00 H new