USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 468 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 61 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-6.1!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.3 X(o=-1.3,f=-1) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 89 THR OG1 : rot -100:sc= 0.595 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -155:sc= -0.415 (180deg=-1.18) USER MOD Single : A 101 HIS : no HD1:sc= -0.0097 X(o=-0.0097,f=-0.0097) USER MOD Single : A 102 LYS NZ :NH3+ -152:sc= -0.126 (180deg=-0.686) USER MOD Single : A 103 MET CE :methyl -166:sc= 0 (180deg=-0.238) USER MOD Single : A 105 GLN : amide:sc=-0.00685 K(o=-0.0068,f=-0.97) USER MOD Single : A 110 LYS NZ :NH3+ -163:sc= 0.0276 (180deg=0.0019) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0437) USER MOD ----------------------------------------------------------------- ATOM 781 N ARG A 60 2.140 -9.769 -11.602 1.00 0.00 N ATOM 782 CA ARG A 60 3.069 -8.682 -11.315 1.00 0.00 C ATOM 783 C ARG A 60 3.574 -8.764 -9.877 1.00 0.00 C ATOM 784 O ARG A 60 2.809 -9.045 -8.954 1.00 0.00 O ATOM 785 CB ARG A 60 2.395 -7.330 -11.553 1.00 0.00 C ATOM 786 CG ARG A 60 3.362 -6.230 -11.960 1.00 0.00 C ATOM 787 CD ARG A 60 2.636 -4.922 -12.230 1.00 0.00 C ATOM 788 NE ARG A 60 2.132 -4.848 -13.599 1.00 0.00 N ATOM 789 CZ ARG A 60 2.915 -4.714 -14.664 1.00 0.00 C ATOM 790 NH1 ARG A 60 4.231 -4.641 -14.519 1.00 0.00 N ATOM 791 NH2 ARG A 60 2.381 -4.655 -15.878 1.00 0.00 N ATOM 0 HA ARG A 60 3.921 -8.779 -11.988 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.638 -7.443 -12.330 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.876 -7.027 -10.644 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.099 -6.082 -11.171 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.908 -6.536 -12.853 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.805 -4.818 -11.532 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.313 -4.087 -12.047 1.00 0.00 H new ATOM 0 HE ARG A 60 1.124 -4.902 -13.745 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.645 -4.688 -13.588 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.829 -4.538 -15.339 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.369 -4.713 -15.993 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.983 -4.552 -16.695 1.00 0.00 H new ATOM 805 N HIS A 61 4.868 -8.517 -9.695 1.00 0.00 N ATOM 806 CA HIS A 61 5.475 -8.563 -8.370 1.00 0.00 C ATOM 807 C HIS A 61 5.531 -7.170 -7.750 1.00 0.00 C ATOM 808 O HIS A 61 6.181 -6.270 -8.279 1.00 0.00 O ATOM 809 CB HIS A 61 6.883 -9.155 -8.451 1.00 0.00 C ATOM 810 CG HIS A 61 7.295 -9.892 -7.214 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.386 -9.531 -6.452 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.755 -10.974 -6.607 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.500 -10.361 -5.430 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.522 -11.246 -5.501 1.00 0.00 N ATOM 0 H HIS A 61 5.515 -8.283 -10.448 1.00 0.00 H new ATOM 0 HA HIS A 61 4.857 -9.199 -7.736 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.934 -9.834 -9.302 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.596 -8.352 -8.640 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.883 -11.522 -6.932 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.263 -10.322 -4.667 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.362 -12.008 -4.842 1.00 0.00 H new ATOM 823 N GLY A 62 4.845 -7.001 -6.623 1.00 0.00 N ATOM 824 CA GLY A 62 4.829 -5.715 -5.950 1.00 0.00 C ATOM 825 C GLY A 62 5.294 -5.809 -4.511 1.00 0.00 C ATOM 826 O GLY A 62 5.453 -6.904 -3.972 1.00 0.00 O ATOM 0 H GLY A 62 4.300 -7.731 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.469 -5.017 -6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.819 -5.307 -5.976 1.00 0.00 H new ATOM 830 N VAL A 63 5.514 -4.657 -3.885 1.00 0.00 N ATOM 831 CA VAL A 63 5.964 -4.613 -2.499 1.00 0.00 C ATOM 832 C VAL A 63 5.360 -3.423 -1.763 1.00 0.00 C ATOM 833 O VAL A 63 5.405 -2.292 -2.247 1.00 0.00 O ATOM 834 CB VAL A 63 7.500 -4.532 -2.410 1.00 0.00 C ATOM 835 CG1 VAL A 63 7.930 -4.036 -1.038 1.00 0.00 C ATOM 836 CG2 VAL A 63 8.123 -5.885 -2.716 1.00 0.00 C ATOM 0 H VAL A 63 5.388 -3.741 -4.316 1.00 0.00 H new ATOM 0 HA VAL A 63 5.628 -5.537 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 63 7.853 -3.818 -3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.018 -3.985 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.513 -3.044 -0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.568 -4.722 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.208 -5.809 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.765 -6.621 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.843 -6.195 -3.723 1.00 0.00 H new ATOM 846 N ALA A 64 4.795 -3.685 -0.589 1.00 0.00 N ATOM 847 CA ALA A 64 4.184 -2.636 0.217 1.00 0.00 C ATOM 848 C ALA A 64 5.239 -1.686 0.773 1.00 0.00 C ATOM 849 O ALA A 64 6.200 -2.116 1.411 1.00 0.00 O ATOM 850 CB ALA A 64 3.370 -3.245 1.349 1.00 0.00 C ATOM 0 H ALA A 64 4.748 -4.616 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 64 3.517 -2.061 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.920 -2.449 1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.585 -3.877 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.022 -3.846 1.983 1.00 0.00 H new ATOM 856 N ILE A 65 5.054 -0.393 0.527 1.00 0.00 N ATOM 857 CA ILE A 65 5.990 0.617 1.004 1.00 0.00 C ATOM 858 C ILE A 65 5.415 1.383 2.190 1.00 0.00 C ATOM 859 O ILE A 65 6.156 1.914 3.018 1.00 0.00 O ATOM 860 CB ILE A 65 6.356 1.616 -0.110 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.091 2.129 -0.800 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.290 0.966 -1.119 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.350 3.254 -1.778 1.00 0.00 C ATOM 0 H ILE A 65 4.264 -0.021 -0.000 1.00 0.00 H new ATOM 0 HA ILE A 65 6.891 0.089 1.318 1.00 0.00 H new ATOM 0 HB ILE A 65 6.872 2.465 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.614 1.303 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.387 2.472 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.539 1.685 -1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.202 0.645 -0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.799 0.101 -1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.409 3.568 -2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.799 4.097 -1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.029 2.909 -2.558 1.00 0.00 H new ATOM 875 N TYR A 66 4.090 1.435 2.268 1.00 0.00 N ATOM 876 CA TYR A 66 3.415 2.136 3.353 1.00 0.00 C ATOM 877 C TYR A 66 2.474 1.200 4.105 1.00 0.00 C ATOM 878 O TYR A 66 1.755 0.407 3.500 1.00 0.00 O ATOM 879 CB TYR A 66 2.632 3.332 2.807 1.00 0.00 C ATOM 880 CG TYR A 66 3.513 4.450 2.296 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.405 5.099 3.140 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.454 4.856 0.968 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.211 6.121 2.678 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.257 5.876 0.497 1.00 0.00 C ATOM 885 CZ TYR A 66 5.134 6.506 1.356 1.00 0.00 C ATOM 886 OH TYR A 66 5.936 7.523 0.891 1.00 0.00 O ATOM 0 H TYR A 66 3.462 1.000 1.592 1.00 0.00 H new ATOM 0 HA TYR A 66 4.175 2.493 4.048 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.984 2.993 1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.985 3.721 3.593 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.469 4.799 4.176 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.768 4.365 0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.898 6.616 3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.199 6.179 -0.538 1.00 0.00 H new ATOM 0 HH TYR A 66 5.759 7.670 -0.062 1.00 0.00 H new ATOM 896 N ASN A 67 2.486 1.299 5.431 1.00 0.00 N ATOM 897 CA ASN A 67 1.635 0.462 6.268 1.00 0.00 C ATOM 898 C ASN A 67 0.164 0.821 6.079 1.00 0.00 C ATOM 899 O ASN A 67 -0.278 1.899 6.476 1.00 0.00 O ATOM 900 CB ASN A 67 2.024 0.613 7.740 1.00 0.00 C ATOM 901 CG ASN A 67 1.758 2.009 8.267 1.00 0.00 C ATOM 902 OD1 ASN A 67 0.728 2.263 8.893 1.00 0.00 O ATOM 903 ND2 ASN A 67 2.688 2.923 8.017 1.00 0.00 N ATOM 0 H ASN A 67 3.076 1.951 5.948 1.00 0.00 H new ATOM 0 HA ASN A 67 1.779 -0.575 5.966 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.467 -0.110 8.336 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.082 0.378 7.860 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.564 3.880 8.348 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.526 2.668 7.494 1.00 0.00 H new ATOM 910 N PHE A 68 -0.589 -0.090 5.472 1.00 0.00 N ATOM 911 CA PHE A 68 -2.010 0.131 5.230 1.00 0.00 C ATOM 912 C PHE A 68 -2.857 -0.578 6.283 1.00 0.00 C ATOM 913 O PHE A 68 -2.600 -1.732 6.626 1.00 0.00 O ATOM 914 CB PHE A 68 -2.394 -0.362 3.833 1.00 0.00 C ATOM 915 CG PHE A 68 -3.849 -0.177 3.512 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.409 1.090 3.476 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.658 -1.270 3.245 1.00 0.00 C ATOM 918 CE1 PHE A 68 -5.748 1.263 3.181 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.998 -1.103 2.949 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.543 0.165 2.916 1.00 0.00 C ATOM 0 H PHE A 68 -0.239 -0.988 5.139 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.202 1.202 5.295 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.796 0.169 3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.143 -1.419 3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.792 1.952 3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.237 -2.264 3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.172 2.256 3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.618 -1.963 2.744 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.589 0.298 2.683 1.00 0.00 H new ATOM 930 N GLN A 69 -3.867 0.121 6.791 1.00 0.00 N ATOM 931 CA GLN A 69 -4.751 -0.440 7.805 1.00 0.00 C ATOM 932 C GLN A 69 -6.192 -0.481 7.308 1.00 0.00 C ATOM 933 O GLN A 69 -6.829 0.557 7.136 1.00 0.00 O ATOM 934 CB GLN A 69 -4.666 0.377 9.095 1.00 0.00 C ATOM 935 CG GLN A 69 -5.015 1.845 8.909 1.00 0.00 C ATOM 936 CD GLN A 69 -4.522 2.712 10.050 1.00 0.00 C ATOM 937 OE1 GLN A 69 -5.197 2.861 11.069 1.00 0.00 O ATOM 938 NE2 GLN A 69 -3.337 3.288 9.887 1.00 0.00 N ATOM 0 H GLN A 69 -4.093 1.077 6.517 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.427 -1.461 8.009 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.338 -0.057 9.835 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.656 0.300 9.498 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.583 2.201 7.974 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.096 1.949 8.820 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.811 3.138 9.026 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.953 3.881 10.623 1.00 0.00 H new ATOM 947 N GLY A 70 -6.700 -1.689 7.080 1.00 0.00 N ATOM 948 CA GLY A 70 -8.063 -1.842 6.605 1.00 0.00 C ATOM 949 C GLY A 70 -9.004 -2.326 7.690 1.00 0.00 C ATOM 950 O GLY A 70 -8.605 -2.482 8.844 1.00 0.00 O ATOM 0 H GLY A 70 -6.192 -2.563 7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.419 -0.887 6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.078 -2.547 5.774 1.00 0.00 H new ATOM 954 N SER A 71 -10.259 -2.563 7.321 1.00 0.00 N ATOM 955 CA SER A 71 -11.262 -3.026 8.273 1.00 0.00 C ATOM 956 C SER A 71 -11.807 -4.392 7.865 1.00 0.00 C ATOM 957 O SER A 71 -12.006 -5.269 8.705 1.00 0.00 O ATOM 958 CB SER A 71 -12.406 -2.016 8.373 1.00 0.00 C ATOM 959 OG SER A 71 -12.118 -1.013 9.331 1.00 0.00 O ATOM 0 H SER A 71 -10.605 -2.442 6.369 1.00 0.00 H new ATOM 0 HA SER A 71 -10.786 -3.121 9.249 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.575 -1.556 7.400 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.327 -2.531 8.646 1.00 0.00 H new ATOM 0 HG SER A 71 -12.864 -0.379 9.375 1.00 0.00 H new ATOM 965 N GLY A 72 -12.048 -4.563 6.569 1.00 0.00 N ATOM 966 CA GLY A 72 -12.568 -5.823 6.071 1.00 0.00 C ATOM 967 C GLY A 72 -12.797 -5.805 4.573 1.00 0.00 C ATOM 968 O GLY A 72 -13.002 -4.745 3.983 1.00 0.00 O ATOM 0 H GLY A 72 -11.892 -3.851 5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.871 -6.623 6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.507 -6.050 6.576 1.00 0.00 H new ATOM 972 N ALA A 73 -12.760 -6.981 3.956 1.00 0.00 N ATOM 973 CA ALA A 73 -12.965 -7.096 2.517 1.00 0.00 C ATOM 974 C ALA A 73 -14.076 -6.164 2.045 1.00 0.00 C ATOM 975 O ALA A 73 -14.979 -5.803 2.800 1.00 0.00 O ATOM 976 CB ALA A 73 -13.287 -8.535 2.143 1.00 0.00 C ATOM 0 H ALA A 73 -12.590 -7.868 4.430 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.042 -6.800 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.438 -8.606 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.460 -9.181 2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.195 -8.850 2.658 1.00 0.00 H new ATOM 982 N PRO A 74 -14.009 -5.763 0.767 1.00 0.00 N ATOM 983 CA PRO A 74 -12.938 -6.185 -0.140 1.00 0.00 C ATOM 984 C PRO A 74 -11.592 -5.570 0.226 1.00 0.00 C ATOM 985 O PRO A 74 -10.575 -5.860 -0.405 1.00 0.00 O ATOM 986 CB PRO A 74 -13.407 -5.674 -1.505 1.00 0.00 C ATOM 987 CG PRO A 74 -14.301 -4.524 -1.192 1.00 0.00 C ATOM 988 CD PRO A 74 -14.974 -4.865 0.109 1.00 0.00 C ATOM 0 HA PRO A 74 -12.776 -7.262 -0.106 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.564 -5.364 -2.122 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.938 -6.450 -2.057 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.731 -3.599 -1.106 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.035 -4.374 -1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.167 -3.974 0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.934 -5.355 -0.052 1.00 0.00 H new ATOM 996 N GLN A 75 -11.593 -4.720 1.247 1.00 0.00 N ATOM 997 CA GLN A 75 -10.371 -4.064 1.696 1.00 0.00 C ATOM 998 C GLN A 75 -9.437 -5.059 2.378 1.00 0.00 C ATOM 999 O GLN A 75 -9.864 -5.849 3.220 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.703 -2.920 2.655 1.00 0.00 C ATOM 1001 CG GLN A 75 -11.000 -1.604 1.954 1.00 0.00 C ATOM 1002 CD GLN A 75 -11.277 -0.474 2.925 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -10.475 -0.196 3.817 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -12.417 0.186 2.757 1.00 0.00 N ATOM 0 H GLN A 75 -12.426 -4.469 1.779 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.864 -3.659 0.820 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.565 -3.202 3.259 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.867 -2.777 3.339 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.154 -1.335 1.321 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.861 -1.733 1.298 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.053 -0.078 2.004 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.657 0.957 3.381 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.162 -5.015 2.007 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.167 -5.914 2.583 1.00 0.00 C ATOM 1015 C LEU A 76 -6.034 -5.127 3.233 1.00 0.00 C ATOM 1016 O LEU A 76 -5.588 -4.109 2.703 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.605 -6.842 1.504 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.296 -7.553 1.847 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -5.568 -8.815 2.651 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.521 -7.884 0.579 1.00 0.00 C ATOM 0 H LEU A 76 -7.793 -4.367 1.311 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.656 -6.513 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.357 -7.598 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.452 -6.259 0.596 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.690 -6.882 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.624 -9.307 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.081 -8.553 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.194 -9.490 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.592 -8.390 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.122 -8.536 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.293 -6.964 0.041 1.00 0.00 H new ATOM 1032 N SER A 77 -5.571 -5.606 4.383 1.00 0.00 N ATOM 1033 CA SER A 77 -4.491 -4.947 5.107 1.00 0.00 C ATOM 1034 C SER A 77 -3.139 -5.274 4.480 1.00 0.00 C ATOM 1035 O SER A 77 -2.982 -6.295 3.809 1.00 0.00 O ATOM 1036 CB SER A 77 -4.500 -5.370 6.577 1.00 0.00 C ATOM 1037 OG SER A 77 -4.110 -6.725 6.720 1.00 0.00 O ATOM 0 H SER A 77 -5.927 -6.449 4.834 1.00 0.00 H new ATOM 0 HA SER A 77 -4.650 -3.870 5.046 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.824 -4.732 7.146 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.498 -5.230 6.993 1.00 0.00 H new ATOM 0 HG SER A 77 -4.122 -6.971 7.669 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.163 -4.400 4.704 1.00 0.00 N ATOM 1044 CA LEU A 78 -0.823 -4.593 4.163 1.00 0.00 C ATOM 1045 C LEU A 78 0.234 -4.042 5.114 1.00 0.00 C ATOM 1046 O LEU A 78 -0.032 -3.119 5.883 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.700 -3.915 2.797 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.312 -4.669 1.616 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -1.094 -3.901 0.322 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.722 -6.068 1.513 1.00 0.00 C ATOM 0 H LEU A 78 -2.276 -3.550 5.257 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.657 -5.664 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.169 -2.933 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.357 -3.751 2.589 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.385 -4.760 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.536 -4.453 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.564 -2.920 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.025 -3.778 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.169 -6.590 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.356 -5.998 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.930 -6.619 2.430 1.00 0.00 H new ATOM 1062 N GLN A 79 1.433 -4.612 5.053 1.00 0.00 N ATOM 1063 CA GLN A 79 2.530 -4.176 5.909 1.00 0.00 C ATOM 1064 C GLN A 79 3.788 -3.910 5.088 1.00 0.00 C ATOM 1065 O GLN A 79 4.162 -4.711 4.231 1.00 0.00 O ATOM 1066 CB GLN A 79 2.819 -5.228 6.980 1.00 0.00 C ATOM 1067 CG GLN A 79 1.902 -5.134 8.189 1.00 0.00 C ATOM 1068 CD GLN A 79 2.031 -6.328 9.114 1.00 0.00 C ATOM 1069 OE1 GLN A 79 1.377 -7.352 8.920 1.00 0.00 O ATOM 1070 NE2 GLN A 79 2.879 -6.202 10.129 1.00 0.00 N ATOM 0 H GLN A 79 1.669 -5.376 4.420 1.00 0.00 H new ATOM 0 HA GLN A 79 2.231 -3.247 6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.723 -6.220 6.538 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.853 -5.124 7.310 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.130 -4.224 8.743 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.869 -5.051 7.851 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.401 -5.335 10.252 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.008 -6.973 10.785 1.00 0.00 H new ATOM 1079 N ILE A 80 4.435 -2.780 5.356 1.00 0.00 N ATOM 1080 CA ILE A 80 5.651 -2.410 4.642 1.00 0.00 C ATOM 1081 C ILE A 80 6.627 -3.579 4.576 1.00 0.00 C ATOM 1082 O ILE A 80 6.900 -4.232 5.583 1.00 0.00 O ATOM 1083 CB ILE A 80 6.349 -1.209 5.306 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.422 0.008 5.316 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.648 -0.886 4.584 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.966 1.177 6.106 1.00 0.00 C ATOM 0 H ILE A 80 4.138 -2.106 6.061 1.00 0.00 H new ATOM 0 HA ILE A 80 5.352 -2.133 3.631 1.00 0.00 H new ATOM 0 HB ILE A 80 6.584 -1.470 6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.243 0.326 4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.458 -0.284 5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.130 -0.035 5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.312 -1.750 4.625 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.435 -0.642 3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.256 2.003 6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.119 0.876 7.142 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.916 1.496 5.677 1.00 0.00 H new ATOM 1098 N GLY A 81 7.154 -3.837 3.383 1.00 0.00 N ATOM 1099 CA GLY A 81 8.096 -4.927 3.207 1.00 0.00 C ATOM 1100 C GLY A 81 7.411 -6.238 2.878 1.00 0.00 C ATOM 1101 O GLY A 81 8.019 -7.305 2.973 1.00 0.00 O ATOM 0 H GLY A 81 6.945 -3.310 2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.794 -4.675 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.683 -5.046 4.117 1.00 0.00 H new ATOM 1105 N ASP A 82 6.143 -6.160 2.490 1.00 0.00 N ATOM 1106 CA ASP A 82 5.374 -7.351 2.146 1.00 0.00 C ATOM 1107 C ASP A 82 5.101 -7.406 0.646 1.00 0.00 C ATOM 1108 O ASP A 82 4.812 -6.387 0.019 1.00 0.00 O ATOM 1109 CB ASP A 82 4.054 -7.373 2.919 1.00 0.00 C ATOM 1110 CG ASP A 82 4.259 -7.569 4.408 1.00 0.00 C ATOM 1111 OD1 ASP A 82 5.219 -6.989 4.957 1.00 0.00 O ATOM 1112 OD2 ASP A 82 3.459 -8.304 5.026 1.00 0.00 O ATOM 0 H ASP A 82 5.626 -5.285 2.406 1.00 0.00 H new ATOM 0 HA ASP A 82 5.962 -8.226 2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.521 -6.438 2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.424 -8.174 2.533 1.00 0.00 H new ATOM 1117 N VAL A 83 5.195 -8.604 0.077 1.00 0.00 N ATOM 1118 CA VAL A 83 4.957 -8.793 -1.349 1.00 0.00 C ATOM 1119 C VAL A 83 3.607 -9.456 -1.599 1.00 0.00 C ATOM 1120 O VAL A 83 3.224 -10.392 -0.898 1.00 0.00 O ATOM 1121 CB VAL A 83 6.064 -9.648 -1.994 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.772 -9.877 -3.469 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.423 -8.990 -1.807 1.00 0.00 C ATOM 0 H VAL A 83 5.434 -9.458 0.582 1.00 0.00 H new ATOM 0 HA VAL A 83 4.961 -7.803 -1.804 1.00 0.00 H new ATOM 0 HB VAL A 83 6.084 -10.618 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.565 -10.483 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.819 -10.395 -3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.722 -8.917 -3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.193 -9.608 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.418 -8.006 -2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.633 -8.884 -0.743 1.00 0.00 H new ATOM 1133 N VAL A 84 2.890 -8.964 -2.604 1.00 0.00 N ATOM 1134 CA VAL A 84 1.582 -9.510 -2.948 1.00 0.00 C ATOM 1135 C VAL A 84 1.531 -9.932 -4.412 1.00 0.00 C ATOM 1136 O VAL A 84 2.137 -9.296 -5.274 1.00 0.00 O ATOM 1137 CB VAL A 84 0.460 -8.489 -2.680 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.442 -8.087 -1.213 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.626 -7.269 -3.574 1.00 0.00 C ATOM 0 H VAL A 84 3.192 -8.189 -3.194 1.00 0.00 H new ATOM 0 HA VAL A 84 1.427 -10.384 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.496 -8.956 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.357 -7.365 -1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.271 -8.969 -0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.399 -7.638 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.175 -6.558 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.588 -6.799 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.584 -7.575 -4.619 1.00 0.00 H new ATOM 1149 N ARG A 85 0.803 -11.010 -4.686 1.00 0.00 N ATOM 1150 CA ARG A 85 0.673 -11.519 -6.046 1.00 0.00 C ATOM 1151 C ARG A 85 -0.417 -10.769 -6.805 1.00 0.00 C ATOM 1152 O ARG A 85 -1.606 -11.041 -6.634 1.00 0.00 O ATOM 1153 CB ARG A 85 0.357 -13.016 -6.025 1.00 0.00 C ATOM 1154 CG ARG A 85 0.876 -13.764 -7.242 1.00 0.00 C ATOM 1155 CD ARG A 85 2.386 -13.933 -7.190 1.00 0.00 C ATOM 1156 NE ARG A 85 2.779 -15.124 -6.441 1.00 0.00 N ATOM 1157 CZ ARG A 85 2.682 -16.359 -6.920 1.00 0.00 C ATOM 1158 NH1 ARG A 85 2.208 -16.565 -8.141 1.00 0.00 N ATOM 1159 NH2 ARG A 85 3.059 -17.391 -6.177 1.00 0.00 N ATOM 0 H ARG A 85 0.294 -11.548 -3.984 1.00 0.00 H new ATOM 0 HA ARG A 85 1.622 -11.362 -6.558 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.788 -13.457 -5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.723 -13.150 -5.960 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.401 -14.743 -7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.600 -13.223 -8.147 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.779 -13.997 -8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.834 -13.052 -6.730 1.00 0.00 H new ATOM 0 HE ARG A 85 3.148 -15.000 -5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.917 -15.774 -8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.135 -17.515 -8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.424 -17.236 -5.237 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.984 -18.339 -6.546 1.00 0.00 H new ATOM 1173 N ILE A 86 -0.004 -9.823 -7.643 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.946 -9.035 -8.428 1.00 0.00 C ATOM 1175 C ILE A 86 -1.541 -9.860 -9.563 1.00 0.00 C ATOM 1176 O ILE A 86 -0.821 -10.338 -10.439 1.00 0.00 O ATOM 1177 CB ILE A 86 -0.274 -7.780 -9.018 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.340 -6.932 -7.902 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -1.282 -6.967 -9.816 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.389 -5.958 -8.392 1.00 0.00 C ATOM 0 H ILE A 86 0.976 -9.584 -7.795 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.742 -8.727 -7.750 1.00 0.00 H new ATOM 0 HB ILE A 86 0.524 -8.094 -9.691 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.453 -6.378 -7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.787 -7.592 -7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.793 -6.084 -10.227 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.677 -7.575 -10.630 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.099 -6.659 -9.164 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.781 -5.390 -7.548 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.201 -6.507 -8.869 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.942 -5.274 -9.113 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.860 -10.021 -9.541 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.553 -10.788 -10.570 1.00 0.00 C ATOM 1194 C GLN A 87 -4.276 -9.864 -11.544 1.00 0.00 C ATOM 1195 O GLN A 87 -4.250 -10.081 -12.755 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.551 -11.755 -9.930 1.00 0.00 C ATOM 1197 CG GLN A 87 -3.923 -12.690 -8.909 1.00 0.00 C ATOM 1198 CD GLN A 87 -3.408 -13.973 -9.531 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -2.937 -13.980 -10.668 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -3.496 -15.069 -8.786 1.00 0.00 N ATOM 0 H GLN A 87 -3.470 -9.631 -8.823 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.808 -11.359 -11.124 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.342 -11.181 -9.447 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.022 -12.349 -10.713 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.101 -12.177 -8.410 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.659 -12.932 -8.143 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.894 -15.018 -7.848 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.166 -15.962 -9.152 1.00 0.00 H new ATOM 1209 N GLU A 88 -4.921 -8.833 -11.006 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.651 -7.877 -11.829 1.00 0.00 C ATOM 1211 C GLU A 88 -5.369 -6.445 -11.381 1.00 0.00 C ATOM 1212 O GLU A 88 -4.736 -6.219 -10.349 1.00 0.00 O ATOM 1213 CB GLU A 88 -7.154 -8.157 -11.763 1.00 0.00 C ATOM 1214 CG GLU A 88 -7.558 -9.468 -12.416 1.00 0.00 C ATOM 1215 CD GLU A 88 -9.002 -9.468 -12.880 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -9.490 -8.397 -13.298 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -9.643 -10.538 -12.825 1.00 0.00 O ATOM 0 H GLU A 88 -4.952 -8.639 -10.005 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.312 -7.990 -12.859 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.467 -8.169 -10.719 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.689 -7.340 -12.247 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.906 -9.661 -13.268 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.408 -10.283 -11.709 1.00 0.00 H new ATOM 1224 N THR A 89 -5.844 -5.482 -12.164 1.00 0.00 N ATOM 1225 CA THR A 89 -5.642 -4.073 -11.850 1.00 0.00 C ATOM 1226 C THR A 89 -6.843 -3.237 -12.277 1.00 0.00 C ATOM 1227 O THR A 89 -7.125 -3.103 -13.469 1.00 0.00 O ATOM 1228 CB THR A 89 -4.377 -3.520 -12.533 1.00 0.00 C ATOM 1229 OG1 THR A 89 -3.235 -4.294 -12.148 1.00 0.00 O ATOM 1230 CG2 THR A 89 -4.156 -2.062 -12.163 1.00 0.00 C ATOM 0 H THR A 89 -6.371 -5.652 -13.020 1.00 0.00 H new ATOM 0 HA THR A 89 -5.521 -4.005 -10.769 1.00 0.00 H new ATOM 0 HB THR A 89 -4.514 -3.587 -13.612 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.743 -3.823 -11.443 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.257 -1.693 -12.657 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.014 -1.471 -12.483 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.038 -1.975 -11.083 1.00 0.00 H new ATOM 1238 N CYS A 90 -7.546 -2.676 -11.300 1.00 0.00 N ATOM 1239 CA CYS A 90 -8.718 -1.852 -11.576 1.00 0.00 C ATOM 1240 C CYS A 90 -8.517 -0.432 -11.058 1.00 0.00 C ATOM 1241 O CYS A 90 -8.067 -0.228 -9.932 1.00 0.00 O ATOM 1242 CB CYS A 90 -9.963 -2.469 -10.937 1.00 0.00 C ATOM 1243 SG CYS A 90 -11.486 -1.545 -11.246 1.00 0.00 S ATOM 0 H CYS A 90 -7.325 -2.776 -10.309 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.856 -1.810 -12.656 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.085 -3.485 -11.312 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.807 -2.543 -9.861 1.00 0.00 H new ATOM 0 HG CYS A 90 -12.483 -2.146 -10.668 1.00 0.00 H new ATOM 1249 N GLY A 91 -8.853 0.549 -11.891 1.00 0.00 N ATOM 1250 CA GLY A 91 -8.701 1.939 -11.501 1.00 0.00 C ATOM 1251 C GLY A 91 -7.393 2.199 -10.781 1.00 0.00 C ATOM 1252 O GLY A 91 -6.327 1.806 -11.255 1.00 0.00 O ATOM 0 H GLY A 91 -9.228 0.406 -12.829 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.756 2.570 -12.388 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.531 2.225 -10.855 1.00 0.00 H new ATOM 1256 N ASP A 92 -7.474 2.863 -9.633 1.00 0.00 N ATOM 1257 CA ASP A 92 -6.287 3.176 -8.846 1.00 0.00 C ATOM 1258 C ASP A 92 -6.131 2.199 -7.685 1.00 0.00 C ATOM 1259 O ASP A 92 -5.696 2.577 -6.597 1.00 0.00 O ATOM 1260 CB ASP A 92 -6.363 4.609 -8.317 1.00 0.00 C ATOM 1261 CG ASP A 92 -6.560 5.626 -9.424 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -5.766 5.616 -10.388 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -7.511 6.430 -9.328 1.00 0.00 O ATOM 0 H ASP A 92 -8.349 3.195 -9.227 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.416 3.082 -9.495 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.185 4.687 -7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.447 4.841 -7.773 1.00 0.00 H new ATOM 1268 N TRP A 93 -6.492 0.943 -7.923 1.00 0.00 N ATOM 1269 CA TRP A 93 -6.393 -0.088 -6.896 1.00 0.00 C ATOM 1270 C TRP A 93 -6.020 -1.433 -7.509 1.00 0.00 C ATOM 1271 O TRP A 93 -6.487 -1.782 -8.593 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.716 -0.208 -6.137 1.00 0.00 C ATOM 1273 CG TRP A 93 -8.076 1.028 -5.370 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -8.427 2.241 -5.889 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -8.117 1.171 -3.946 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.684 3.130 -4.874 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.502 2.498 -3.672 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.869 0.307 -2.876 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.642 2.979 -2.373 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -8.008 0.786 -1.588 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.393 2.111 -1.344 1.00 0.00 C ATOM 0 H TRP A 93 -6.856 0.614 -8.817 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.607 0.202 -6.199 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.514 -0.432 -6.845 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.656 -1.050 -5.447 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.493 2.468 -6.943 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.965 4.103 -4.995 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.574 -0.717 -3.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.937 4.001 -2.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -7.816 0.127 -0.754 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.495 2.454 -0.325 1.00 0.00 H new ATOM 1292 N TYR A 94 -5.176 -2.183 -6.809 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.739 -3.489 -7.287 1.00 0.00 C ATOM 1294 C TYR A 94 -5.616 -4.600 -6.715 1.00 0.00 C ATOM 1295 O TYR A 94 -6.309 -4.407 -5.717 1.00 0.00 O ATOM 1296 CB TYR A 94 -3.278 -3.732 -6.906 1.00 0.00 C ATOM 1297 CG TYR A 94 -2.293 -2.994 -7.784 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -2.215 -3.255 -9.147 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -1.440 -2.035 -7.251 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -1.316 -2.583 -9.952 1.00 0.00 C ATOM 1301 CE2 TYR A 94 -0.539 -1.357 -8.050 1.00 0.00 C ATOM 1302 CZ TYR A 94 -0.480 -1.636 -9.400 1.00 0.00 C ATOM 1303 OH TYR A 94 0.415 -0.964 -10.199 1.00 0.00 O ATOM 0 H TYR A 94 -4.781 -1.909 -5.909 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.832 -3.500 -8.373 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.126 -3.429 -5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.070 -4.801 -6.960 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.868 -3.996 -9.584 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.482 -1.816 -6.194 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.268 -2.799 -11.009 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.115 -0.613 -7.620 1.00 0.00 H new ATOM 0 HH TYR A 94 0.928 -0.331 -9.655 1.00 0.00 H new ATOM 1313 N ARG A 95 -5.579 -5.763 -7.357 1.00 0.00 N ATOM 1314 CA ARG A 95 -6.370 -6.905 -6.915 1.00 0.00 C ATOM 1315 C ARG A 95 -5.496 -8.147 -6.767 1.00 0.00 C ATOM 1316 O ARG A 95 -4.893 -8.613 -7.733 1.00 0.00 O ATOM 1317 CB ARG A 95 -7.504 -7.181 -7.904 1.00 0.00 C ATOM 1318 CG ARG A 95 -8.719 -7.838 -7.270 1.00 0.00 C ATOM 1319 CD ARG A 95 -8.440 -9.286 -6.900 1.00 0.00 C ATOM 1320 NE ARG A 95 -9.637 -9.967 -6.415 1.00 0.00 N ATOM 1321 CZ ARG A 95 -9.606 -11.070 -5.674 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -8.445 -11.613 -5.336 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -10.739 -11.632 -5.271 1.00 0.00 N ATOM 0 H ARG A 95 -5.010 -5.939 -8.185 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.797 -6.664 -5.942 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.809 -6.242 -8.365 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.130 -7.822 -8.703 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.010 -7.283 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.560 -7.794 -7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.050 -9.814 -7.770 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.667 -9.322 -6.133 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.547 -9.575 -6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.572 -11.184 -5.645 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -8.424 -12.459 -4.767 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.634 -11.217 -5.530 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.714 -12.478 -4.702 1.00 0.00 H new ATOM 1337 N GLY A 96 -5.432 -8.678 -5.550 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.629 -9.860 -5.297 1.00 0.00 C ATOM 1339 C GLY A 96 -4.697 -10.310 -3.851 1.00 0.00 C ATOM 1340 O GLY A 96 -5.737 -10.186 -3.204 1.00 0.00 O ATOM 0 H GLY A 96 -5.922 -8.311 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.968 -10.670 -5.943 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.592 -9.654 -5.562 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.588 -10.835 -3.344 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.527 -11.308 -1.966 1.00 0.00 C ATOM 1346 C TYR A 97 -2.086 -11.349 -1.467 1.00 0.00 C ATOM 1347 O TYR A 97 -1.142 -11.215 -2.247 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.157 -12.698 -1.854 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.405 -13.767 -2.615 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.122 -14.144 -2.236 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -3.977 -14.399 -3.712 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.431 -15.120 -2.928 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.294 -15.376 -4.409 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.021 -15.733 -4.014 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.337 -16.705 -4.706 1.00 0.00 O ATOM 0 H TYR A 97 -2.719 -10.944 -3.866 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.088 -10.610 -1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.209 -12.981 -0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.182 -12.654 -2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.657 -13.666 -1.386 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -4.973 -14.121 -4.025 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.435 -15.401 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.754 -15.858 -5.259 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.894 -17.036 -5.442 1.00 0.00 H new ATOM 1365 N LEU A 98 -1.924 -11.537 -0.162 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.598 -11.597 0.443 1.00 0.00 C ATOM 1367 C LEU A 98 0.056 -12.951 0.188 1.00 0.00 C ATOM 1368 O LEU A 98 -0.397 -13.976 0.698 1.00 0.00 O ATOM 1369 CB LEU A 98 -0.690 -11.338 1.948 1.00 0.00 C ATOM 1370 CG LEU A 98 0.528 -10.674 2.591 1.00 0.00 C ATOM 1371 CD1 LEU A 98 0.774 -9.304 1.979 1.00 0.00 C ATOM 1372 CD2 LEU A 98 0.341 -10.562 4.097 1.00 0.00 C ATOM 0 H LEU A 98 -2.694 -11.650 0.497 1.00 0.00 H new ATOM 0 HA LEU A 98 0.019 -10.824 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.562 -10.711 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.867 -12.289 2.450 1.00 0.00 H new ATOM 0 HG LEU A 98 1.402 -11.297 2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.645 -8.847 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.953 -9.410 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.099 -8.672 2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.217 -10.087 4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.543 -9.961 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.215 -11.557 4.523 1.00 0.00 H new ATOM 1384 N ILE A 99 1.125 -12.947 -0.602 1.00 0.00 N ATOM 1385 CA ILE A 99 1.843 -14.174 -0.921 1.00 0.00 C ATOM 1386 C ILE A 99 2.284 -14.899 0.346 1.00 0.00 C ATOM 1387 O ILE A 99 2.168 -16.121 0.448 1.00 0.00 O ATOM 1388 CB ILE A 99 3.080 -13.892 -1.794 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.679 -13.113 -3.049 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.771 -15.194 -2.170 1.00 0.00 C ATOM 1391 CD1 ILE A 99 3.829 -12.368 -3.691 1.00 0.00 C ATOM 0 H ILE A 99 1.512 -12.107 -1.033 1.00 0.00 H new ATOM 0 HA ILE A 99 1.152 -14.807 -1.477 1.00 0.00 H new ATOM 0 HB ILE A 99 3.780 -13.285 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.254 -13.805 -3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.895 -12.401 -2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.643 -14.978 -2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.086 -15.713 -1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.079 -15.825 -2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.472 -11.839 -4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.240 -11.651 -2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.605 -13.077 -3.981 1.00 0.00 H new ATOM 1403 N LYS A 100 2.788 -14.138 1.311 1.00 0.00 N ATOM 1404 CA LYS A 100 3.244 -14.706 2.574 1.00 0.00 C ATOM 1405 C LYS A 100 2.068 -15.238 3.387 1.00 0.00 C ATOM 1406 O LYS A 100 2.189 -16.243 4.088 1.00 0.00 O ATOM 1407 CB LYS A 100 4.004 -13.654 3.385 1.00 0.00 C ATOM 1408 CG LYS A 100 3.288 -12.317 3.469 1.00 0.00 C ATOM 1409 CD LYS A 100 3.938 -11.400 4.492 1.00 0.00 C ATOM 1410 CE LYS A 100 5.159 -10.699 3.917 1.00 0.00 C ATOM 1411 NZ LYS A 100 5.971 -10.041 4.977 1.00 0.00 N ATOM 0 H LYS A 100 2.891 -13.126 1.243 1.00 0.00 H new ATOM 0 HA LYS A 100 3.913 -15.536 2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.167 -14.033 4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.987 -13.503 2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.297 -11.836 2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.244 -12.479 3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.215 -10.657 4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.229 -11.979 5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.776 -11.423 3.384 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.840 -9.954 3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.513 -9.257 4.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.341 -9.673 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.627 -10.733 5.392 1.00 0.00 H new ATOM 1425 N HIS A 101 0.930 -14.558 3.288 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.269 -14.964 4.013 1.00 0.00 C ATOM 1427 C HIS A 101 -1.495 -14.913 3.107 1.00 0.00 C ATOM 1428 O HIS A 101 -2.219 -13.918 3.080 1.00 0.00 O ATOM 1429 CB HIS A 101 -0.483 -14.065 5.232 1.00 0.00 C ATOM 1430 CG HIS A 101 0.627 -14.141 6.234 1.00 0.00 C ATOM 1431 ND1 HIS A 101 0.843 -15.242 7.036 1.00 0.00 N ATOM 1432 CD2 HIS A 101 1.588 -13.245 6.561 1.00 0.00 C ATOM 1433 CE1 HIS A 101 1.887 -15.019 7.815 1.00 0.00 C ATOM 1434 NE2 HIS A 101 2.357 -13.814 7.546 1.00 0.00 N ATOM 0 H HIS A 101 0.813 -13.724 2.713 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.130 -15.992 4.349 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.590 -13.033 4.898 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.419 -14.341 5.717 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.724 -12.265 6.128 1.00 0.00 H new ATOM 0 HE1 HIS A 101 2.288 -15.705 8.547 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.161 -13.377 7.997 1.00 0.00 H new ATOM 1443 N LYS A 102 -1.721 -15.992 2.365 1.00 0.00 N ATOM 1444 CA LYS A 102 -2.860 -16.072 1.458 1.00 0.00 C ATOM 1445 C LYS A 102 -4.175 -16.037 2.230 1.00 0.00 C ATOM 1446 O LYS A 102 -5.218 -15.682 1.682 1.00 0.00 O ATOM 1447 CB LYS A 102 -2.782 -17.350 0.619 1.00 0.00 C ATOM 1448 CG LYS A 102 -1.550 -17.422 -0.266 1.00 0.00 C ATOM 1449 CD LYS A 102 -0.310 -17.788 0.532 1.00 0.00 C ATOM 1450 CE LYS A 102 0.696 -18.548 -0.319 1.00 0.00 C ATOM 1451 NZ LYS A 102 0.159 -19.860 -0.774 1.00 0.00 N ATOM 0 H LYS A 102 -1.130 -16.823 2.374 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.826 -15.207 0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.792 -18.213 1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.672 -17.419 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.709 -18.160 -1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.397 -16.461 -0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 102 0.153 -16.882 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -0.595 -18.396 1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.966 -17.946 -1.186 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.609 -18.709 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.945 -20.526 -0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -0.489 -20.239 -0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.355 -19.733 -1.669 1.00 0.00 H new ATOM 1465 N MET A 103 -4.117 -16.407 3.505 1.00 0.00 N ATOM 1466 CA MET A 103 -5.303 -16.415 4.353 1.00 0.00 C ATOM 1467 C MET A 103 -6.074 -15.105 4.223 1.00 0.00 C ATOM 1468 O MET A 103 -7.261 -15.036 4.544 1.00 0.00 O ATOM 1469 CB MET A 103 -4.912 -16.647 5.813 1.00 0.00 C ATOM 1470 CG MET A 103 -3.786 -15.744 6.291 1.00 0.00 C ATOM 1471 SD MET A 103 -2.824 -16.481 7.627 1.00 0.00 S ATOM 1472 CE MET A 103 -4.123 -16.912 8.782 1.00 0.00 C ATOM 0 H MET A 103 -3.261 -16.705 3.974 1.00 0.00 H new ATOM 0 HA MET A 103 -5.948 -17.230 4.024 1.00 0.00 H new ATOM 0 HB2 MET A 103 -5.786 -16.489 6.444 1.00 0.00 H new ATOM 0 HB3 MET A 103 -4.611 -17.687 5.939 1.00 0.00 H new ATOM 0 HG2 MET A 103 -3.125 -15.520 5.454 1.00 0.00 H new ATOM 0 HG3 MET A 103 -4.204 -14.796 6.630 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.685 -17.145 9.752 1.00 0.00 H new ATOM 0 HE2 MET A 103 -4.810 -16.072 8.887 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.666 -17.781 8.411 1.00 0.00 H new ATOM 1482 N LEU A 104 -5.392 -14.067 3.750 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.012 -12.758 3.578 1.00 0.00 C ATOM 1484 C LEU A 104 -5.951 -12.314 2.120 1.00 0.00 C ATOM 1485 O LEU A 104 -4.878 -12.277 1.518 1.00 0.00 O ATOM 1486 CB LEU A 104 -5.321 -11.724 4.468 1.00 0.00 C ATOM 1487 CG LEU A 104 -4.713 -12.254 5.766 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -3.266 -12.669 5.548 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -4.809 -11.208 6.867 1.00 0.00 C ATOM 0 H LEU A 104 -4.410 -14.107 3.479 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.059 -12.838 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.531 -11.246 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.045 -10.949 4.720 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.279 -13.132 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.850 -13.044 6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.222 -13.453 4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.687 -11.808 5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.371 -11.603 7.784 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.269 -10.311 6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.856 -10.960 7.043 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.108 -11.977 1.560 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.185 -11.534 0.174 1.00 0.00 C ATOM 1503 C GLN A 105 -8.077 -10.303 0.044 1.00 0.00 C ATOM 1504 O GLN A 105 -8.988 -10.098 0.844 1.00 0.00 O ATOM 1505 CB GLN A 105 -7.717 -12.660 -0.715 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.003 -13.986 -0.509 1.00 0.00 C ATOM 1507 CD GLN A 105 -7.639 -15.119 -1.291 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -8.835 -15.092 -1.582 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -6.841 -16.122 -1.635 1.00 0.00 N ATOM 0 H GLN A 105 -8.005 -12.002 2.045 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.180 -11.268 -0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.781 -12.795 -0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.621 -12.363 -1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.960 -13.883 -0.809 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.006 -14.235 0.552 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.856 -16.103 -1.373 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.213 -16.912 -2.162 1.00 0.00 H new ATOM 1518 N GLY A 106 -7.807 -9.487 -0.971 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.594 -8.287 -1.186 1.00 0.00 C ATOM 1520 C GLY A 106 -7.938 -7.332 -2.164 1.00 0.00 C ATOM 1521 O GLY A 106 -7.274 -7.760 -3.109 1.00 0.00 O ATOM 0 H GLY A 106 -7.058 -9.636 -1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.580 -8.565 -1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.745 -7.780 -0.233 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.125 -6.036 -1.939 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.547 -5.019 -2.808 1.00 0.00 C ATOM 1527 C ILE A 107 -6.757 -3.993 -2.003 1.00 0.00 C ATOM 1528 O ILE A 107 -6.848 -3.946 -0.776 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.633 -4.290 -3.622 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.702 -3.718 -2.689 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -9.259 -5.236 -4.636 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.705 -2.829 -3.392 1.00 0.00 C ATOM 0 H ILE A 107 -8.672 -5.666 -1.162 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.875 -5.535 -3.494 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.169 -3.465 -4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.232 -4.541 -2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.215 -3.148 -1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.024 -4.707 -5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.490 -5.601 -5.317 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.712 -6.080 -4.115 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.433 -2.459 -2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.187 -1.986 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.219 -3.401 -4.165 1.00 0.00 H new ATOM 1544 N PHE A 108 -5.982 -3.170 -2.702 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.175 -2.143 -2.053 1.00 0.00 C ATOM 1546 C PHE A 108 -4.793 -1.046 -3.042 1.00 0.00 C ATOM 1547 O PHE A 108 -4.838 -1.229 -4.259 1.00 0.00 O ATOM 1548 CB PHE A 108 -3.914 -2.762 -1.448 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.422 -3.970 -2.193 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -3.921 -5.230 -1.903 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -2.461 -3.846 -3.184 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -3.470 -6.343 -2.587 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -2.007 -4.956 -3.872 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.512 -6.206 -3.573 1.00 0.00 C ATOM 0 H PHE A 108 -5.896 -3.194 -3.718 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.771 -1.698 -1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.124 -2.011 -1.428 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.116 -3.040 -0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.671 -5.343 -1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.062 -2.871 -3.422 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -3.866 -7.320 -2.351 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.258 -4.846 -4.642 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.159 -7.075 -4.109 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.409 0.123 -2.509 1.00 0.00 N ATOM 1565 CA PRO A 109 -4.012 1.274 -3.326 1.00 0.00 C ATOM 1566 C PRO A 109 -2.681 1.048 -4.036 1.00 0.00 C ATOM 1567 O PRO A 109 -1.711 0.593 -3.430 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.888 2.408 -2.305 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.601 1.724 -1.013 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.332 0.412 -1.067 1.00 0.00 C ATOM 0 HA PRO A 109 -4.729 1.476 -4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -3.088 3.098 -2.574 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.807 2.992 -2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.530 1.569 -0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.940 2.325 -0.170 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.795 -0.369 -0.529 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.323 0.485 -0.618 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.642 1.370 -5.325 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.430 1.205 -6.118 1.00 0.00 C ATOM 1580 C LYS A 110 -0.318 2.118 -5.610 1.00 0.00 C ATOM 1581 O LYS A 110 0.865 1.819 -5.771 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.716 1.504 -7.592 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.921 0.760 -8.140 1.00 0.00 C ATOM 1584 CD LYS A 110 -3.460 1.421 -9.398 1.00 0.00 C ATOM 1585 CE LYS A 110 -2.693 0.976 -10.634 1.00 0.00 C ATOM 1586 NZ LYS A 110 -3.067 1.773 -11.835 1.00 0.00 N ATOM 0 H LYS A 110 -3.436 1.747 -5.842 1.00 0.00 H new ATOM 0 HA LYS A 110 -1.100 0.171 -6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.875 2.576 -7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.839 1.244 -8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.644 -0.271 -8.360 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.704 0.725 -7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.515 1.176 -9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.394 2.504 -9.298 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.623 1.074 -10.452 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.889 -0.079 -10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.758 1.274 -12.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.099 1.899 -11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.606 2.704 -11.791 1.00 0.00 H new ATOM 1600 N SER A 111 -0.707 3.230 -4.995 1.00 0.00 N ATOM 1601 CA SER A 111 0.258 4.187 -4.465 1.00 0.00 C ATOM 1602 C SER A 111 1.040 3.583 -3.304 1.00 0.00 C ATOM 1603 O SER A 111 2.056 4.130 -2.873 1.00 0.00 O ATOM 1604 CB SER A 111 -0.455 5.461 -4.007 1.00 0.00 C ATOM 1605 OG SER A 111 -0.656 6.351 -5.092 1.00 0.00 O ATOM 0 H SER A 111 -1.683 3.491 -4.851 1.00 0.00 H new ATOM 0 HA SER A 111 0.959 4.438 -5.261 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.416 5.204 -3.561 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.134 5.953 -3.233 1.00 0.00 H new ATOM 0 HG SER A 111 -1.115 7.156 -4.774 1.00 0.00 H new ATOM 1611 N PHE A 112 0.560 2.451 -2.800 1.00 0.00 N ATOM 1612 CA PHE A 112 1.213 1.772 -1.687 1.00 0.00 C ATOM 1613 C PHE A 112 1.990 0.552 -2.175 1.00 0.00 C ATOM 1614 O PHE A 112 2.818 0.000 -1.450 1.00 0.00 O ATOM 1615 CB PHE A 112 0.178 1.347 -0.643 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.351 2.490 0.175 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -0.927 3.591 -0.439 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.273 2.464 1.558 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.414 4.644 0.312 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.759 3.514 2.314 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.331 4.605 1.690 1.00 0.00 C ATOM 0 H PHE A 112 -0.279 1.984 -3.145 1.00 0.00 H new ATOM 0 HA PHE A 112 1.915 2.469 -1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.654 0.855 -1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.627 0.611 0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.996 3.626 -1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.173 1.613 2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.859 5.497 -0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.691 3.481 3.391 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.713 5.426 2.278 1.00 0.00 H new ATOM 1631 N ILE A 113 1.715 0.137 -3.407 1.00 0.00 N ATOM 1632 CA ILE A 113 2.388 -1.016 -3.991 1.00 0.00 C ATOM 1633 C ILE A 113 3.532 -0.582 -4.902 1.00 0.00 C ATOM 1634 O ILE A 113 3.336 0.201 -5.832 1.00 0.00 O ATOM 1635 CB ILE A 113 1.409 -1.890 -4.797 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.260 -2.363 -3.904 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.138 -3.079 -5.406 1.00 0.00 C ATOM 1638 CD1 ILE A 113 0.723 -3.022 -2.623 1.00 0.00 C ATOM 0 H ILE A 113 1.031 0.582 -4.019 1.00 0.00 H new ATOM 0 HA ILE A 113 2.788 -1.601 -3.163 1.00 0.00 H new ATOM 0 HB ILE A 113 0.992 -1.291 -5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.372 -1.510 -3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.358 -3.066 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.433 -3.687 -5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 113 2.925 -2.722 -6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.580 -3.681 -4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.144 -3.332 -2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.331 -3.895 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.316 -2.314 -2.044 1.00 0.00 H new ATOM 1650 N HIS A 114 4.727 -1.097 -4.629 1.00 0.00 N ATOM 1651 CA HIS A 114 5.903 -0.765 -5.425 1.00 0.00 C ATOM 1652 C HIS A 114 6.188 -1.855 -6.454 1.00 0.00 C ATOM 1653 O HIS A 114 6.790 -2.880 -6.135 1.00 0.00 O ATOM 1654 CB HIS A 114 7.119 -0.571 -4.520 1.00 0.00 C ATOM 1655 CG HIS A 114 8.370 -0.217 -5.265 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.519 0.958 -5.970 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.534 -0.892 -5.411 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.720 0.991 -6.519 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.356 -0.121 -6.195 1.00 0.00 N ATOM 0 H HIS A 114 4.906 -1.746 -3.863 1.00 0.00 H new ATOM 0 HA HIS A 114 5.702 0.166 -5.955 1.00 0.00 H new ATOM 0 HB2 HIS A 114 6.902 0.215 -3.797 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.290 -1.487 -3.954 1.00 0.00 H new ATOM 0 HD2 HIS A 114 9.772 -1.857 -4.989 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.115 1.790 -7.129 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.304 -0.367 -6.481 1.00 0.00 H new ATOM 1668 N ILE A 115 5.751 -1.626 -7.688 1.00 0.00 N ATOM 1669 CA ILE A 115 5.960 -2.588 -8.763 1.00 0.00 C ATOM 1670 C ILE A 115 7.438 -2.704 -9.117 1.00 0.00 C ATOM 1671 O ILE A 115 8.033 -1.773 -9.661 1.00 0.00 O ATOM 1672 CB ILE A 115 5.169 -2.201 -10.027 1.00 0.00 C ATOM 1673 CG1 ILE A 115 3.684 -2.041 -9.697 1.00 0.00 C ATOM 1674 CG2 ILE A 115 5.366 -3.245 -11.115 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.088 -3.241 -8.994 1.00 0.00 C ATOM 0 H ILE A 115 5.250 -0.783 -7.968 1.00 0.00 H new ATOM 0 HA ILE A 115 5.599 -3.550 -8.400 1.00 0.00 H new ATOM 0 HB ILE A 115 5.545 -1.246 -10.395 1.00 0.00 H new ATOM 0 HG12 ILE A 115 3.553 -1.160 -9.069 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.133 -1.860 -10.620 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.801 -2.958 -12.002 1.00 0.00 H new ATOM 0 HG22 ILE A 115 6.425 -3.314 -11.366 1.00 0.00 H new ATOM 0 HG23 ILE A 115 5.014 -4.213 -10.758 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.033 -3.057 -8.791 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.187 -4.121 -9.629 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.614 -3.410 -8.054 1.00 0.00 H new ATOM 1687 N LYS A 116 8.027 -3.855 -8.807 1.00 0.00 N ATOM 1688 CA LYS A 116 9.435 -4.096 -9.095 1.00 0.00 C ATOM 1689 C LYS A 116 9.621 -4.595 -10.524 1.00 0.00 C ATOM 1690 O LYS A 116 8.968 -5.547 -10.948 1.00 0.00 O ATOM 1691 CB LYS A 116 10.011 -5.115 -8.109 1.00 0.00 C ATOM 1692 CG LYS A 116 9.773 -4.754 -6.653 1.00 0.00 C ATOM 1693 CD LYS A 116 9.766 -5.988 -5.766 1.00 0.00 C ATOM 1694 CE LYS A 116 11.162 -6.324 -5.266 1.00 0.00 C ATOM 1695 NZ LYS A 116 11.146 -7.446 -4.287 1.00 0.00 N ATOM 0 H LYS A 116 7.550 -4.635 -8.356 1.00 0.00 H new ATOM 0 HA LYS A 116 9.969 -3.152 -8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.570 -6.091 -8.309 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.083 -5.208 -8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.549 -4.067 -6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.821 -4.231 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.104 -5.822 -4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.364 -6.835 -6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.796 -6.589 -6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.603 -5.442 -4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.005 -7.409 -3.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.308 -7.363 -3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.114 -8.352 -4.797 1.00 0.00 H new