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 Set 1.1: A 101 HIS : no HE2:sc= -7.98! C(o=-10!,f=-12!) USER MOD Set 1.2: A 103 MET CE :methyl -168:sc= -2.03! (180deg=-2.26!) USER MOD Single : A 61 HIS : no HD1:sc= -2.56! C(o=-2.6!,f=-3.9!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.2!) 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) 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 :FLIP amide:sc= -0.161 F(o=-1.6,f=-0.16) USER MOD Single : A 89 THR OG1 : rot -101:sc= 0.045 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0506 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 153:sc= -0.165 (180deg=-0.66) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 75:sc= 0.272 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.585) USER MOD ----------------------------------------------------------------- ATOM 781 N ARG A 60 1.570 -9.922 -11.360 1.00 0.00 N ATOM 782 CA ARG A 60 2.670 -8.977 -11.207 1.00 0.00 C ATOM 783 C ARG A 60 3.291 -9.086 -9.817 1.00 0.00 C ATOM 784 O ARG A 60 2.656 -9.566 -8.878 1.00 0.00 O ATOM 785 CB ARG A 60 2.180 -7.548 -11.448 1.00 0.00 C ATOM 786 CG ARG A 60 3.250 -6.623 -12.005 1.00 0.00 C ATOM 787 CD ARG A 60 2.655 -5.307 -12.481 1.00 0.00 C ATOM 788 NE ARG A 60 1.928 -5.458 -13.738 1.00 0.00 N ATOM 789 CZ ARG A 60 1.720 -4.461 -14.591 1.00 0.00 C ATOM 790 NH1 ARG A 60 2.181 -3.247 -14.322 1.00 0.00 N ATOM 791 NH2 ARG A 60 1.048 -4.677 -15.715 1.00 0.00 N ATOM 0 HA ARG A 60 3.432 -9.222 -11.947 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.338 -7.573 -12.140 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.809 -7.137 -10.509 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.000 -6.428 -11.238 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.761 -7.113 -12.833 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.982 -4.916 -11.718 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.452 -4.574 -12.609 1.00 0.00 H new ATOM 0 HE ARG A 60 1.560 -6.379 -13.974 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.697 -3.077 -13.459 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.020 -2.483 -14.979 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.691 -5.609 -15.924 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.889 -3.911 -16.369 1.00 0.00 H new ATOM 805 N HIS A 61 4.536 -8.637 -9.694 1.00 0.00 N ATOM 806 CA HIS A 61 5.243 -8.684 -8.419 1.00 0.00 C ATOM 807 C HIS A 61 5.416 -7.282 -7.842 1.00 0.00 C ATOM 808 O HIS A 61 6.067 -6.429 -8.442 1.00 0.00 O ATOM 809 CB HIS A 61 6.609 -9.348 -8.594 1.00 0.00 C ATOM 810 CG HIS A 61 7.043 -10.147 -7.404 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.126 -9.805 -6.621 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.532 -11.278 -6.862 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.263 -10.691 -5.651 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.308 -11.595 -5.775 1.00 0.00 N ATOM 0 H HIS A 61 5.076 -8.237 -10.461 1.00 0.00 H new ATOM 0 HA HIS A 61 4.647 -9.274 -7.722 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.578 -10.000 -9.467 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.354 -8.579 -8.797 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.674 -11.828 -7.219 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.026 -10.678 -4.887 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.170 -12.399 -5.162 1.00 0.00 H new ATOM 823 N GLY A 62 4.826 -7.052 -6.673 1.00 0.00 N ATOM 824 CA GLY A 62 4.926 -5.752 -6.035 1.00 0.00 C ATOM 825 C GLY A 62 5.353 -5.850 -4.584 1.00 0.00 C ATOM 826 O GLY A 62 5.435 -6.944 -4.025 1.00 0.00 O ATOM 0 H GLY A 62 4.281 -7.742 -6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.642 -5.137 -6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.962 -5.247 -6.094 1.00 0.00 H new ATOM 830 N VAL A 63 5.629 -4.703 -3.971 1.00 0.00 N ATOM 831 CA VAL A 63 6.051 -4.663 -2.576 1.00 0.00 C ATOM 832 C VAL A 63 5.433 -3.475 -1.848 1.00 0.00 C ATOM 833 O VAL A 63 5.511 -2.339 -2.315 1.00 0.00 O ATOM 834 CB VAL A 63 7.585 -4.583 -2.456 1.00 0.00 C ATOM 835 CG1 VAL A 63 7.987 -4.071 -1.082 1.00 0.00 C ATOM 836 CG2 VAL A 63 8.212 -5.941 -2.733 1.00 0.00 C ATOM 0 H VAL A 63 5.568 -3.789 -4.419 1.00 0.00 H new ATOM 0 HA VAL A 63 5.705 -5.588 -2.114 1.00 0.00 H new ATOM 0 HB VAL A 63 7.954 -3.879 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.074 -4.021 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.568 -3.077 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.608 -4.748 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.296 -5.866 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.838 -6.668 -2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.952 -6.263 -3.741 1.00 0.00 H new ATOM 846 N ALA A 64 4.818 -3.745 -0.701 1.00 0.00 N ATOM 847 CA ALA A 64 4.188 -2.698 0.093 1.00 0.00 C ATOM 848 C ALA A 64 5.231 -1.760 0.690 1.00 0.00 C ATOM 849 O ALA A 64 6.112 -2.189 1.436 1.00 0.00 O ATOM 850 CB ALA A 64 3.336 -3.312 1.194 1.00 0.00 C ATOM 0 H ALA A 64 4.743 -4.680 -0.301 1.00 0.00 H new ATOM 0 HA ALA A 64 3.546 -2.113 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.871 -2.519 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.561 -3.936 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.965 -3.922 1.843 1.00 0.00 H new ATOM 856 N ILE A 65 5.126 -0.478 0.358 1.00 0.00 N ATOM 857 CA ILE A 65 6.061 0.521 0.862 1.00 0.00 C ATOM 858 C ILE A 65 5.498 1.231 2.089 1.00 0.00 C ATOM 859 O ILE A 65 6.246 1.670 2.962 1.00 0.00 O ATOM 860 CB ILE A 65 6.399 1.570 -0.214 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.121 2.234 -0.729 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.165 0.925 -1.359 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.370 3.279 -1.794 1.00 0.00 C ATOM 0 H ILE A 65 4.403 -0.106 -0.258 1.00 0.00 H new ATOM 0 HA ILE A 65 6.972 -0.010 1.138 1.00 0.00 H new ATOM 0 HB ILE A 65 7.030 2.338 0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.460 1.467 -1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.599 2.697 0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.397 1.679 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.091 0.494 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.556 0.140 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.420 3.708 -2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.006 4.066 -1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.864 2.817 -2.649 1.00 0.00 H new ATOM 875 N TYR A 66 4.175 1.338 2.148 1.00 0.00 N ATOM 876 CA TYR A 66 3.511 1.995 3.267 1.00 0.00 C ATOM 877 C TYR A 66 2.583 1.027 3.995 1.00 0.00 C ATOM 878 O TYR A 66 1.721 0.399 3.383 1.00 0.00 O ATOM 879 CB TYR A 66 2.718 3.208 2.777 1.00 0.00 C ATOM 880 CG TYR A 66 3.585 4.392 2.414 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.227 5.135 3.397 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.763 4.767 1.088 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.019 6.219 3.070 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.555 5.849 0.752 1.00 0.00 C ATOM 885 CZ TYR A 66 5.180 6.571 1.747 1.00 0.00 C ATOM 886 OH TYR A 66 5.970 7.649 1.417 1.00 0.00 O ATOM 0 H TYR A 66 3.542 0.978 1.434 1.00 0.00 H new ATOM 0 HA TYR A 66 4.278 2.329 3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.129 2.919 1.906 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.014 3.508 3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.105 4.861 4.434 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.274 4.204 0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.509 6.787 3.847 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.684 6.127 -0.284 1.00 0.00 H new ATOM 0 HH TYR A 66 5.979 7.762 0.444 1.00 0.00 H new ATOM 896 N ASN A 67 2.768 0.913 5.306 1.00 0.00 N ATOM 897 CA ASN A 67 1.949 0.022 6.119 1.00 0.00 C ATOM 898 C ASN A 67 0.483 0.446 6.082 1.00 0.00 C ATOM 899 O ASN A 67 0.094 1.428 6.714 1.00 0.00 O ATOM 900 CB ASN A 67 2.451 0.009 7.564 1.00 0.00 C ATOM 901 CG ASN A 67 2.754 1.402 8.083 1.00 0.00 C ATOM 902 OD1 ASN A 67 2.265 2.396 7.547 1.00 0.00 O ATOM 903 ND2 ASN A 67 3.564 1.478 9.132 1.00 0.00 N ATOM 0 H ASN A 67 3.478 1.427 5.828 1.00 0.00 H new ATOM 0 HA ASN A 67 2.029 -0.983 5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.701 -0.458 8.202 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.350 -0.603 7.628 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.804 2.388 9.526 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.946 0.627 9.544 1.00 0.00 H new ATOM 910 N PHE A 68 -0.325 -0.303 5.339 1.00 0.00 N ATOM 911 CA PHE A 68 -1.747 -0.005 5.219 1.00 0.00 C ATOM 912 C PHE A 68 -2.559 -0.812 6.228 1.00 0.00 C ATOM 913 O PHE A 68 -2.165 -1.911 6.619 1.00 0.00 O ATOM 914 CB PHE A 68 -2.235 -0.304 3.799 1.00 0.00 C ATOM 915 CG PHE A 68 -3.695 -0.020 3.595 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.156 1.284 3.515 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.607 -1.057 3.482 1.00 0.00 C ATOM 918 CE1 PHE A 68 -5.500 1.548 3.327 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.952 -0.799 3.294 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.399 0.505 3.216 1.00 0.00 C ATOM 0 H PHE A 68 -0.019 -1.120 4.811 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.889 1.055 5.429 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.655 0.289 3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.041 -1.352 3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.458 2.103 3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.263 -2.079 3.542 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.847 2.569 3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.652 -1.617 3.208 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.449 0.709 3.069 1.00 0.00 H new ATOM 930 N GLN A 69 -3.693 -0.258 6.645 1.00 0.00 N ATOM 931 CA GLN A 69 -4.559 -0.926 7.609 1.00 0.00 C ATOM 932 C GLN A 69 -6.025 -0.603 7.339 1.00 0.00 C ATOM 933 O GLN A 69 -6.466 0.530 7.527 1.00 0.00 O ATOM 934 CB GLN A 69 -4.187 -0.510 9.033 1.00 0.00 C ATOM 935 CG GLN A 69 -2.871 -1.098 9.515 1.00 0.00 C ATOM 936 CD GLN A 69 -2.242 -0.286 10.630 1.00 0.00 C ATOM 937 OE1 GLN A 69 -1.566 0.713 10.381 1.00 0.00 O ATOM 938 NE2 GLN A 69 -2.461 -0.712 11.868 1.00 0.00 N ATOM 0 H GLN A 69 -4.033 0.651 6.331 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.417 -2.002 7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.129 0.577 9.081 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.983 -0.817 9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.039 -2.117 9.863 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.176 -1.158 8.678 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.028 -1.545 12.028 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.063 -0.206 12.659 1.00 0.00 H new ATOM 947 N GLY A 70 -6.775 -1.607 6.895 1.00 0.00 N ATOM 948 CA GLY A 70 -8.183 -1.409 6.605 1.00 0.00 C ATOM 949 C GLY A 70 -9.083 -1.987 7.679 1.00 0.00 C ATOM 950 O GLY A 70 -8.730 -1.991 8.859 1.00 0.00 O ATOM 0 H GLY A 70 -6.433 -2.554 6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.383 -0.342 6.503 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.422 -1.871 5.647 1.00 0.00 H new ATOM 954 N SER A 71 -10.250 -2.477 7.272 1.00 0.00 N ATOM 955 CA SER A 71 -11.205 -3.055 8.209 1.00 0.00 C ATOM 956 C SER A 71 -11.626 -4.452 7.763 1.00 0.00 C ATOM 957 O SER A 71 -11.600 -5.400 8.546 1.00 0.00 O ATOM 958 CB SER A 71 -12.436 -2.155 8.336 1.00 0.00 C ATOM 959 OG SER A 71 -13.474 -2.808 9.047 1.00 0.00 O ATOM 0 H SER A 71 -10.556 -2.485 6.299 1.00 0.00 H new ATOM 0 HA SER A 71 -10.720 -3.134 9.182 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.164 -1.232 8.849 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.790 -1.876 7.344 1.00 0.00 H new ATOM 0 HG SER A 71 -14.249 -2.212 9.116 1.00 0.00 H new ATOM 965 N GLY A 72 -12.015 -4.570 6.497 1.00 0.00 N ATOM 966 CA GLY A 72 -12.437 -5.853 5.967 1.00 0.00 C ATOM 967 C GLY A 72 -12.750 -5.794 4.485 1.00 0.00 C ATOM 968 O GLY A 72 -13.045 -4.727 3.948 1.00 0.00 O ATOM 0 H GLY A 72 -12.045 -3.800 5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.653 -6.590 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.320 -6.194 6.508 1.00 0.00 H new ATOM 972 N ALA A 73 -12.685 -6.944 3.821 1.00 0.00 N ATOM 973 CA ALA A 73 -12.965 -7.018 2.393 1.00 0.00 C ATOM 974 C ALA A 73 -14.123 -6.103 2.012 1.00 0.00 C ATOM 975 O ALA A 73 -14.990 -5.787 2.826 1.00 0.00 O ATOM 976 CB ALA A 73 -13.269 -8.453 1.988 1.00 0.00 C ATOM 0 H ALA A 73 -12.441 -7.837 4.250 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.078 -6.681 1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.476 -8.493 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.410 -9.085 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.138 -8.810 2.540 1.00 0.00 H new ATOM 982 N PRO A 74 -14.139 -5.664 0.744 1.00 0.00 N ATOM 983 CA PRO A 74 -13.112 -6.032 -0.234 1.00 0.00 C ATOM 984 C PRO A 74 -11.762 -5.392 0.073 1.00 0.00 C ATOM 985 O PRO A 74 -10.771 -5.658 -0.606 1.00 0.00 O ATOM 986 CB PRO A 74 -13.670 -5.495 -1.554 1.00 0.00 C ATOM 987 CG PRO A 74 -14.573 -4.379 -1.157 1.00 0.00 C ATOM 988 CD PRO A 74 -15.162 -4.774 0.169 1.00 0.00 C ATOM 0 HA PRO A 74 -12.922 -7.105 -0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.872 -5.145 -2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.212 -6.268 -2.099 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.022 -3.442 -1.076 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.355 -4.226 -1.901 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.342 -3.906 0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -16.117 -5.285 0.048 1.00 0.00 H new ATOM 996 N GLN A 75 -11.733 -4.549 1.100 1.00 0.00 N ATOM 997 CA GLN A 75 -10.504 -3.871 1.496 1.00 0.00 C ATOM 998 C GLN A 75 -9.502 -4.860 2.083 1.00 0.00 C ATOM 999 O GLN A 75 -9.829 -5.629 2.988 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.809 -2.772 2.515 1.00 0.00 C ATOM 1001 CG GLN A 75 -11.301 -1.479 1.885 1.00 0.00 C ATOM 1002 CD GLN A 75 -11.975 -0.561 2.886 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -11.329 -0.027 3.788 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -13.280 -0.373 2.732 1.00 0.00 N ATOM 0 H GLN A 75 -12.545 -4.319 1.672 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.064 -3.420 0.606 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.562 -3.135 3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.909 -2.565 3.094 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.459 -0.958 1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.002 -1.713 1.084 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.776 -0.836 1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.787 0.234 3.376 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.280 -4.836 1.561 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.229 -5.731 2.033 1.00 0.00 C ATOM 1015 C LEU A 76 -6.113 -4.948 2.716 1.00 0.00 C ATOM 1016 O LEU A 76 -5.736 -3.866 2.267 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.660 -6.541 0.867 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.515 -7.495 1.207 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -6.049 -8.757 1.866 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.718 -7.839 -0.042 1.00 0.00 C ATOM 0 H LEU A 76 -7.993 -4.207 0.811 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.667 -6.413 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.470 -7.121 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.312 -5.845 0.103 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.850 -6.996 1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.219 -9.424 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.574 -8.494 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.737 -9.259 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.907 -8.519 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.372 -8.318 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.303 -6.927 -0.471 1.00 0.00 H new ATOM 1032 N SER A 77 -5.587 -5.503 3.803 1.00 0.00 N ATOM 1033 CA SER A 77 -4.514 -4.856 4.550 1.00 0.00 C ATOM 1034 C SER A 77 -3.154 -5.188 3.944 1.00 0.00 C ATOM 1035 O SER A 77 -3.026 -6.120 3.149 1.00 0.00 O ATOM 1036 CB SER A 77 -4.552 -5.288 6.016 1.00 0.00 C ATOM 1037 OG SER A 77 -3.747 -4.442 6.819 1.00 0.00 O ATOM 0 H SER A 77 -5.886 -6.400 4.186 1.00 0.00 H new ATOM 0 HA SER A 77 -4.664 -3.778 4.493 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.580 -5.267 6.378 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.204 -6.317 6.104 1.00 0.00 H new ATOM 0 HG SER A 77 -3.790 -4.739 7.752 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.140 -4.419 4.325 1.00 0.00 N ATOM 1044 CA LEU A 78 -0.788 -4.630 3.821 1.00 0.00 C ATOM 1045 C LEU A 78 0.251 -4.138 4.824 1.00 0.00 C ATOM 1046 O LEU A 78 -0.030 -3.264 5.644 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.603 -3.910 2.484 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.138 -4.637 1.250 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -0.848 -3.836 -0.009 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.535 -6.031 1.149 1.00 0.00 C ATOM 0 H LEU A 78 -2.229 -3.643 4.982 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.645 -5.701 3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.091 -2.937 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.461 -3.724 2.339 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.219 -4.737 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.236 -4.369 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.328 -2.860 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.229 -3.704 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.927 -6.534 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.549 -5.954 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.795 -6.605 2.038 1.00 0.00 H new ATOM 1062 N GLN A 79 1.451 -4.704 4.752 1.00 0.00 N ATOM 1063 CA GLN A 79 2.531 -4.322 5.653 1.00 0.00 C ATOM 1064 C GLN A 79 3.798 -3.987 4.873 1.00 0.00 C ATOM 1065 O GLN A 79 4.157 -4.685 3.924 1.00 0.00 O ATOM 1066 CB GLN A 79 2.814 -5.447 6.651 1.00 0.00 C ATOM 1067 CG GLN A 79 1.917 -5.412 7.877 1.00 0.00 C ATOM 1068 CD GLN A 79 1.766 -6.773 8.528 1.00 0.00 C ATOM 1069 OE1 GLN A 79 2.331 -7.031 9.592 1.00 0.00 O ATOM 1070 NE2 GLN A 79 1.001 -7.652 7.892 1.00 0.00 N ATOM 0 H GLN A 79 1.700 -5.429 4.079 1.00 0.00 H new ATOM 0 HA GLN A 79 2.217 -3.433 6.199 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.691 -6.407 6.149 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.854 -5.385 6.970 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.327 -4.710 8.603 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.933 -5.038 7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.552 -7.395 7.013 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.862 -8.584 8.283 1.00 0.00 H new ATOM 1079 N ILE A 80 4.471 -2.916 5.279 1.00 0.00 N ATOM 1080 CA ILE A 80 5.699 -2.490 4.618 1.00 0.00 C ATOM 1081 C ILE A 80 6.702 -3.635 4.530 1.00 0.00 C ATOM 1082 O ILE A 80 6.973 -4.314 5.520 1.00 0.00 O ATOM 1083 CB ILE A 80 6.352 -1.305 5.354 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.374 -0.133 5.449 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.629 -0.880 4.644 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.908 1.037 6.246 1.00 0.00 C ATOM 0 H ILE A 80 4.187 -2.327 6.062 1.00 0.00 H new ATOM 0 HA ILE A 80 5.423 -2.175 3.612 1.00 0.00 H new ATOM 0 HB ILE A 80 6.609 -1.622 6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.127 0.206 4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.447 -0.480 5.905 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.079 -0.042 5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.329 -1.715 4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.395 -0.578 3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.162 1.831 6.271 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.129 0.714 7.263 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.819 1.410 5.778 1.00 0.00 H new ATOM 1098 N GLY A 81 7.252 -3.843 3.338 1.00 0.00 N ATOM 1099 CA GLY A 81 8.220 -4.906 3.142 1.00 0.00 C ATOM 1100 C GLY A 81 7.565 -6.243 2.858 1.00 0.00 C ATOM 1101 O GLY A 81 8.206 -7.289 2.955 1.00 0.00 O ATOM 0 H GLY A 81 7.044 -3.294 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.879 -4.645 2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.845 -4.993 4.031 1.00 0.00 H new ATOM 1105 N ASP A 82 6.284 -6.209 2.508 1.00 0.00 N ATOM 1106 CA ASP A 82 5.541 -7.428 2.209 1.00 0.00 C ATOM 1107 C ASP A 82 5.175 -7.492 0.729 1.00 0.00 C ATOM 1108 O ASP A 82 4.700 -6.513 0.153 1.00 0.00 O ATOM 1109 CB ASP A 82 4.275 -7.501 3.064 1.00 0.00 C ATOM 1110 CG ASP A 82 4.581 -7.558 4.548 1.00 0.00 C ATOM 1111 OD1 ASP A 82 5.616 -6.998 4.962 1.00 0.00 O ATOM 1112 OD2 ASP A 82 3.784 -8.165 5.295 1.00 0.00 O ATOM 0 H ASP A 82 5.739 -5.351 2.424 1.00 0.00 H new ATOM 0 HA ASP A 82 6.179 -8.280 2.444 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.650 -6.632 2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.699 -8.382 2.781 1.00 0.00 H new ATOM 1117 N VAL A 83 5.400 -8.651 0.119 1.00 0.00 N ATOM 1118 CA VAL A 83 5.094 -8.844 -1.293 1.00 0.00 C ATOM 1119 C VAL A 83 3.739 -9.518 -1.475 1.00 0.00 C ATOM 1120 O VAL A 83 3.331 -10.346 -0.661 1.00 0.00 O ATOM 1121 CB VAL A 83 6.174 -9.691 -1.991 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.758 -10.019 -3.417 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.513 -8.968 -1.971 1.00 0.00 C ATOM 0 H VAL A 83 5.793 -9.471 0.581 1.00 0.00 H new ATOM 0 HA VAL A 83 5.068 -7.854 -1.749 1.00 0.00 H new ATOM 0 HB VAL A 83 6.284 -10.628 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.534 -10.618 -3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.824 -10.580 -3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.618 -9.094 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.265 -9.581 -2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.420 -8.015 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.815 -8.790 -0.939 1.00 0.00 H new ATOM 1133 N VAL A 84 3.044 -9.158 -2.550 1.00 0.00 N ATOM 1134 CA VAL A 84 1.735 -9.730 -2.841 1.00 0.00 C ATOM 1135 C VAL A 84 1.611 -10.098 -4.315 1.00 0.00 C ATOM 1136 O VAL A 84 2.149 -9.412 -5.184 1.00 0.00 O ATOM 1137 CB VAL A 84 0.602 -8.754 -2.470 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.523 -8.575 -0.962 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.804 -7.415 -3.165 1.00 0.00 C ATOM 0 H VAL A 84 3.366 -8.473 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 84 1.642 -10.632 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.344 -9.176 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.283 -7.882 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.328 -9.538 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.468 -8.176 -0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.005 -6.738 -2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.757 -6.985 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.805 -7.562 -4.245 1.00 0.00 H new ATOM 1149 N ARG A 85 0.899 -11.186 -4.589 1.00 0.00 N ATOM 1150 CA ARG A 85 0.705 -11.647 -5.959 1.00 0.00 C ATOM 1151 C ARG A 85 -0.431 -10.884 -6.633 1.00 0.00 C ATOM 1152 O ARG A 85 -1.607 -11.166 -6.399 1.00 0.00 O ATOM 1153 CB ARG A 85 0.407 -13.148 -5.977 1.00 0.00 C ATOM 1154 CG ARG A 85 1.633 -14.015 -5.743 1.00 0.00 C ATOM 1155 CD ARG A 85 2.641 -13.871 -6.872 1.00 0.00 C ATOM 1156 NE ARG A 85 3.624 -14.951 -6.869 1.00 0.00 N ATOM 1157 CZ ARG A 85 3.334 -16.211 -7.177 1.00 0.00 C ATOM 1158 NH1 ARG A 85 2.095 -16.546 -7.511 1.00 0.00 N ATOM 1159 NH2 ARG A 85 4.283 -17.137 -7.152 1.00 0.00 N ATOM 0 H ARG A 85 0.447 -11.765 -3.881 1.00 0.00 H new ATOM 0 HA ARG A 85 1.625 -11.459 -6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.337 -13.371 -5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.035 -13.411 -6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.101 -13.738 -4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.331 -15.058 -5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.116 -13.861 -7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.154 -12.914 -6.780 1.00 0.00 H new ATOM 0 HE ARG A 85 4.586 -14.726 -6.617 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.363 -15.836 -7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.874 -17.513 -7.747 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.237 -16.883 -6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.059 -18.104 -7.389 1.00 0.00 H new ATOM 1173 N ILE A 86 -0.072 -9.917 -7.471 1.00 0.00 N ATOM 1174 CA ILE A 86 -1.061 -9.115 -8.180 1.00 0.00 C ATOM 1175 C ILE A 86 -1.769 -9.935 -9.252 1.00 0.00 C ATOM 1176 O ILE A 86 -1.148 -10.381 -10.217 1.00 0.00 O ATOM 1177 CB ILE A 86 -0.417 -7.879 -8.836 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.257 -7.005 -7.777 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -1.463 -7.081 -9.602 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.166 -5.945 -8.358 1.00 0.00 C ATOM 0 H ILE A 86 0.896 -9.670 -7.675 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.790 -8.785 -7.439 1.00 0.00 H new ATOM 0 HB ILE A 86 0.344 -8.215 -9.540 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.511 -6.522 -7.173 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.836 -7.641 -7.107 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.993 -6.211 -10.060 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.902 -7.707 -10.379 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.244 -6.753 -8.916 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.610 -5.363 -7.550 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.956 -6.422 -8.938 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.588 -5.285 -9.005 1.00 0.00 H new ATOM 1192 N GLN A 87 -3.072 -10.130 -9.077 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.865 -10.896 -10.031 1.00 0.00 C ATOM 1194 C GLN A 87 -4.565 -9.973 -11.023 1.00 0.00 C ATOM 1195 O GLN A 87 -4.591 -10.242 -12.223 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.897 -11.753 -9.297 1.00 0.00 C ATOM 1197 CG GLN A 87 -4.281 -12.785 -8.367 1.00 0.00 C ATOM 1198 CD GLN A 87 -5.175 -13.991 -8.158 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -5.969 -13.962 -7.093 1.00 0.00 O flip ATOM 1200 NE2 GLN A 87 -5.154 -14.938 -8.944 1.00 0.00 N flip ATOM 0 H GLN A 87 -3.601 -9.768 -8.283 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.190 -11.548 -10.585 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.553 -11.102 -8.720 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.521 -12.264 -10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.325 -13.113 -8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.072 -12.321 -7.403 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.528 -14.919 -9.749 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.762 -15.742 -8.790 1.00 0.00 H new ATOM 1209 N GLU A 88 -5.132 -8.884 -10.512 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.833 -7.923 -11.354 1.00 0.00 C ATOM 1211 C GLU A 88 -5.482 -6.492 -10.954 1.00 0.00 C ATOM 1212 O GLU A 88 -4.847 -6.260 -9.925 1.00 0.00 O ATOM 1213 CB GLU A 88 -7.346 -8.134 -11.257 1.00 0.00 C ATOM 1214 CG GLU A 88 -8.097 -7.744 -12.518 1.00 0.00 C ATOM 1215 CD GLU A 88 -7.462 -8.309 -13.774 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -7.810 -9.447 -14.153 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -6.618 -7.614 -14.377 1.00 0.00 O ATOM 0 H GLU A 88 -5.119 -8.646 -9.520 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.516 -8.083 -12.385 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.545 -9.183 -11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.732 -7.553 -10.420 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.126 -8.095 -12.446 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.135 -6.657 -12.592 1.00 0.00 H new ATOM 1224 N THR A 89 -5.900 -5.535 -11.777 1.00 0.00 N ATOM 1225 CA THR A 89 -5.629 -4.128 -11.512 1.00 0.00 C ATOM 1226 C THR A 89 -6.839 -3.262 -11.846 1.00 0.00 C ATOM 1227 O THR A 89 -7.172 -3.070 -13.016 1.00 0.00 O ATOM 1228 CB THR A 89 -4.416 -3.627 -12.318 1.00 0.00 C ATOM 1229 OG1 THR A 89 -3.302 -4.506 -12.124 1.00 0.00 O ATOM 1230 CG2 THR A 89 -4.033 -2.216 -11.901 1.00 0.00 C ATOM 0 H THR A 89 -6.427 -5.709 -12.632 1.00 0.00 H new ATOM 0 HA THR A 89 -5.408 -4.045 -10.448 1.00 0.00 H new ATOM 0 HB THR A 89 -4.690 -3.615 -13.373 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.685 -4.114 -11.471 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.174 -1.885 -12.484 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.873 -1.544 -12.078 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.777 -2.206 -10.841 1.00 0.00 H new ATOM 1238 N CYS A 90 -7.492 -2.742 -10.813 1.00 0.00 N ATOM 1239 CA CYS A 90 -8.666 -1.896 -10.998 1.00 0.00 C ATOM 1240 C CYS A 90 -8.314 -0.426 -10.796 1.00 0.00 C ATOM 1241 O CYS A 90 -7.904 -0.018 -9.710 1.00 0.00 O ATOM 1242 CB CYS A 90 -9.773 -2.306 -10.026 1.00 0.00 C ATOM 1243 SG CYS A 90 -11.425 -1.758 -10.516 1.00 0.00 S ATOM 0 H CYS A 90 -7.229 -2.891 -9.839 1.00 0.00 H new ATOM 0 HA CYS A 90 -9.022 -2.028 -12.020 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.775 -3.392 -9.932 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.545 -1.901 -9.040 1.00 0.00 H new ATOM 0 HG CYS A 90 -12.293 -2.154 -9.633 1.00 0.00 H new ATOM 1249 N GLY A 91 -8.475 0.366 -11.852 1.00 0.00 N ATOM 1250 CA GLY A 91 -8.168 1.782 -11.771 1.00 0.00 C ATOM 1251 C GLY A 91 -6.964 2.065 -10.894 1.00 0.00 C ATOM 1252 O GLY A 91 -5.873 1.551 -11.141 1.00 0.00 O ATOM 0 H GLY A 91 -8.813 0.052 -12.762 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.982 2.168 -12.773 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.033 2.316 -11.379 1.00 0.00 H new ATOM 1256 N ASP A 92 -7.162 2.885 -9.868 1.00 0.00 N ATOM 1257 CA ASP A 92 -6.084 3.237 -8.951 1.00 0.00 C ATOM 1258 C ASP A 92 -6.048 2.281 -7.762 1.00 0.00 C ATOM 1259 O ASP A 92 -5.832 2.698 -6.625 1.00 0.00 O ATOM 1260 CB ASP A 92 -6.251 4.675 -8.460 1.00 0.00 C ATOM 1261 CG ASP A 92 -6.220 5.681 -9.594 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -5.117 6.162 -9.930 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -7.297 5.987 -10.146 1.00 0.00 O ATOM 0 H ASP A 92 -8.059 3.319 -9.650 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.140 3.154 -9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.196 4.765 -7.924 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.458 4.908 -7.750 1.00 0.00 H new ATOM 1268 N TRP A 93 -6.264 0.999 -8.034 1.00 0.00 N ATOM 1269 CA TRP A 93 -6.258 -0.015 -6.986 1.00 0.00 C ATOM 1270 C TRP A 93 -5.846 -1.373 -7.545 1.00 0.00 C ATOM 1271 O TRP A 93 -6.297 -1.776 -8.617 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.639 -0.115 -6.336 1.00 0.00 C ATOM 1273 CG TRP A 93 -7.928 1.004 -5.381 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -8.224 2.298 -5.700 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -7.946 0.927 -3.951 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.425 3.030 -4.555 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.261 2.212 -3.469 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.729 -0.103 -3.032 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.363 2.492 -2.109 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -7.830 0.177 -1.683 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.145 1.465 -1.231 1.00 0.00 C ATOM 0 H TRP A 93 -6.445 0.637 -8.970 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.530 0.283 -6.231 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.400 -0.123 -7.116 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.715 -1.064 -5.806 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.290 2.689 -6.705 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.659 4.022 -4.519 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.487 -1.100 -3.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.606 3.485 -1.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -7.663 -0.611 -0.964 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.217 1.651 -0.170 1.00 0.00 H new ATOM 1292 N TYR A 94 -4.988 -2.074 -6.812 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.514 -3.386 -7.237 1.00 0.00 C ATOM 1294 C TYR A 94 -5.339 -4.497 -6.595 1.00 0.00 C ATOM 1295 O TYR A 94 -6.026 -4.278 -5.597 1.00 0.00 O ATOM 1296 CB TYR A 94 -3.038 -3.559 -6.877 1.00 0.00 C ATOM 1297 CG TYR A 94 -2.099 -2.802 -7.790 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -2.154 -2.968 -9.168 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -1.159 -1.919 -7.273 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -1.298 -2.279 -10.005 1.00 0.00 C ATOM 1301 CE2 TYR A 94 -0.300 -1.224 -8.103 1.00 0.00 C ATOM 1302 CZ TYR A 94 -0.373 -1.408 -9.467 1.00 0.00 C ATOM 1303 OH TYR A 94 0.481 -0.719 -10.298 1.00 0.00 O ATOM 0 H TYR A 94 -4.607 -1.756 -5.921 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.628 -3.452 -8.319 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.881 -3.225 -5.851 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.787 -4.619 -6.909 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.878 -3.647 -9.592 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.099 -1.773 -6.205 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.352 -2.421 -11.074 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.424 -0.541 -7.685 1.00 0.00 H new ATOM 0 HH TYR A 94 1.069 -0.147 -9.762 1.00 0.00 H new ATOM 1313 N ARG A 95 -5.266 -5.690 -7.176 1.00 0.00 N ATOM 1314 CA ARG A 95 -6.006 -6.836 -6.662 1.00 0.00 C ATOM 1315 C ARG A 95 -5.078 -8.026 -6.437 1.00 0.00 C ATOM 1316 O ARG A 95 -4.098 -8.207 -7.159 1.00 0.00 O ATOM 1317 CB ARG A 95 -7.125 -7.224 -7.631 1.00 0.00 C ATOM 1318 CG ARG A 95 -8.178 -8.130 -7.014 1.00 0.00 C ATOM 1319 CD ARG A 95 -9.011 -8.823 -8.081 1.00 0.00 C ATOM 1320 NE ARG A 95 -8.410 -10.083 -8.511 1.00 0.00 N ATOM 1321 CZ ARG A 95 -8.467 -11.204 -7.802 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -9.095 -11.223 -6.634 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -7.896 -12.311 -8.260 1.00 0.00 N ATOM 0 H ARG A 95 -4.702 -5.888 -8.003 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.445 -6.554 -5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.607 -6.318 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.688 -7.725 -8.495 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.693 -8.878 -6.386 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.830 -7.544 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.012 -9.012 -7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.122 -8.162 -8.941 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.920 -10.103 -9.405 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.536 -10.375 -6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.137 -12.086 -6.092 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -7.412 -12.301 -9.158 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.941 -13.171 -7.714 1.00 0.00 H new ATOM 1337 N GLY A 96 -5.393 -8.835 -5.430 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.578 -9.997 -5.128 1.00 0.00 C ATOM 1339 C GLY A 96 -4.641 -10.384 -3.664 1.00 0.00 C ATOM 1340 O GLY A 96 -5.662 -10.184 -3.005 1.00 0.00 O ATOM 0 H GLY A 96 -6.199 -8.706 -4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.909 -10.838 -5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.543 -9.793 -5.402 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.548 -10.941 -3.153 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.485 -11.362 -1.759 1.00 0.00 C ATOM 1346 C TYR A 97 -2.039 -11.452 -1.282 1.00 0.00 C ATOM 1347 O TYR A 97 -1.104 -11.206 -2.046 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.178 -12.713 -1.580 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.532 -13.833 -2.364 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.241 -14.257 -2.072 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -4.212 -14.468 -3.396 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.647 -15.279 -2.786 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.626 -15.492 -4.114 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.343 -15.894 -3.805 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.756 -16.913 -4.519 1.00 0.00 O ATOM 0 H TYR A 97 -2.694 -11.111 -3.684 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.001 -10.614 -1.157 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.178 -12.974 -0.522 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.220 -12.621 -1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.693 -13.779 -1.273 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.216 -14.155 -3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.642 -15.595 -2.547 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.169 -15.975 -4.913 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.381 -17.238 -5.200 1.00 0.00 H new ATOM 1365 N LEU A 98 -1.862 -11.808 -0.014 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.529 -11.932 0.566 1.00 0.00 C ATOM 1367 C LEU A 98 0.057 -13.314 0.293 1.00 0.00 C ATOM 1368 O LEU A 98 -0.591 -14.332 0.537 1.00 0.00 O ATOM 1369 CB LEU A 98 -0.583 -11.677 2.074 1.00 0.00 C ATOM 1370 CG LEU A 98 0.766 -11.612 2.792 1.00 0.00 C ATOM 1371 CD1 LEU A 98 1.630 -10.506 2.206 1.00 0.00 C ATOM 1372 CD2 LEU A 98 0.565 -11.400 4.285 1.00 0.00 C ATOM 0 H LEU A 98 -2.624 -12.016 0.631 1.00 0.00 H new ATOM 0 HA LEU A 98 0.115 -11.186 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.109 -10.738 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.180 -12.465 2.534 1.00 0.00 H new ATOM 0 HG LEU A 98 1.280 -12.562 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.586 -10.475 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.802 -10.701 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.122 -9.548 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.535 -11.356 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.030 -10.465 4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.015 -12.227 4.695 1.00 0.00 H new ATOM 1384 N ILE A 99 1.286 -13.340 -0.211 1.00 0.00 N ATOM 1385 CA ILE A 99 1.960 -14.597 -0.514 1.00 0.00 C ATOM 1386 C ILE A 99 2.367 -15.324 0.764 1.00 0.00 C ATOM 1387 O ILE A 99 2.002 -16.480 0.977 1.00 0.00 O ATOM 1388 CB ILE A 99 3.210 -14.370 -1.383 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.970 -13.228 -2.373 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.583 -15.648 -2.120 1.00 0.00 C ATOM 1391 CD1 ILE A 99 4.008 -13.151 -3.470 1.00 0.00 C ATOM 0 H ILE A 99 1.835 -12.506 -0.418 1.00 0.00 H new ATOM 0 HA ILE A 99 1.250 -15.211 -1.068 1.00 0.00 H new ATOM 0 HB ILE A 99 4.040 -14.093 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.985 -13.350 -2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.957 -12.283 -1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.469 -15.471 -2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.792 -16.437 -1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.756 -15.953 -2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.774 -12.319 -4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.993 -12.998 -3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.006 -14.081 -4.039 1.00 0.00 H new ATOM 1403 N LYS A 100 3.125 -14.637 1.612 1.00 0.00 N ATOM 1404 CA LYS A 100 3.581 -15.214 2.871 1.00 0.00 C ATOM 1405 C LYS A 100 2.420 -15.852 3.629 1.00 0.00 C ATOM 1406 O LYS A 100 2.622 -16.733 4.466 1.00 0.00 O ATOM 1407 CB LYS A 100 4.241 -14.141 3.739 1.00 0.00 C ATOM 1408 CG LYS A 100 3.453 -12.844 3.808 1.00 0.00 C ATOM 1409 CD LYS A 100 4.206 -11.774 4.581 1.00 0.00 C ATOM 1410 CE LYS A 100 4.576 -12.252 5.977 1.00 0.00 C ATOM 1411 NZ LYS A 100 5.220 -11.175 6.779 1.00 0.00 N ATOM 0 H LYS A 100 3.437 -13.679 1.450 1.00 0.00 H new ATOM 0 HA LYS A 100 4.313 -15.988 2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.371 -14.531 4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.237 -13.931 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.248 -12.488 2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.490 -13.027 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.110 -11.499 4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.592 -10.876 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.680 -12.601 6.491 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.253 -13.103 5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.457 -11.540 7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.088 -10.859 6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.565 -10.373 6.872 1.00 0.00 H new ATOM 1425 N HIS A 101 1.206 -15.403 3.329 1.00 0.00 N ATOM 1426 CA HIS A 101 0.013 -15.932 3.981 1.00 0.00 C ATOM 1427 C HIS A 101 -1.228 -15.683 3.128 1.00 0.00 C ATOM 1428 O HIS A 101 -1.693 -14.550 3.005 1.00 0.00 O ATOM 1429 CB HIS A 101 -0.166 -15.294 5.359 1.00 0.00 C ATOM 1430 CG HIS A 101 1.103 -15.213 6.151 1.00 0.00 C ATOM 1431 ND1 HIS A 101 1.693 -16.311 6.741 1.00 0.00 N ATOM 1432 CD2 HIS A 101 1.896 -14.157 6.447 1.00 0.00 C ATOM 1433 CE1 HIS A 101 2.793 -15.933 7.368 1.00 0.00 C ATOM 1434 NE2 HIS A 101 2.939 -14.631 7.204 1.00 0.00 N ATOM 0 H HIS A 101 1.022 -14.675 2.639 1.00 0.00 H new ATOM 0 HA HIS A 101 0.141 -17.008 4.100 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.572 -14.290 5.235 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -0.901 -15.868 5.923 1.00 0.00 H new ATOM 0 HD1 HIS A 101 1.336 -17.266 6.700 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.738 -13.132 6.144 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.459 -16.579 7.921 1.00 0.00 H new ATOM 1443 N LYS A 102 -1.758 -16.750 2.539 1.00 0.00 N ATOM 1444 CA LYS A 102 -2.944 -16.650 1.698 1.00 0.00 C ATOM 1445 C LYS A 102 -4.215 -16.714 2.539 1.00 0.00 C ATOM 1446 O LYS A 102 -5.175 -17.395 2.180 1.00 0.00 O ATOM 1447 CB LYS A 102 -2.953 -17.771 0.656 1.00 0.00 C ATOM 1448 CG LYS A 102 -1.900 -17.603 -0.426 1.00 0.00 C ATOM 1449 CD LYS A 102 -1.998 -18.700 -1.473 1.00 0.00 C ATOM 1450 CE LYS A 102 -0.640 -19.007 -2.086 1.00 0.00 C ATOM 1451 NZ LYS A 102 0.313 -19.550 -1.080 1.00 0.00 N ATOM 0 H LYS A 102 -1.384 -17.695 2.629 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.915 -15.688 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.796 -18.725 1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.937 -17.815 0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.020 -16.631 -0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.908 -17.617 0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.406 -19.603 -1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.692 -18.396 -2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.762 -19.726 -2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.226 -18.099 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.015 -20.152 -1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.798 -18.764 -0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.207 -20.114 -0.378 1.00 0.00 H new ATOM 1465 N MET A 103 -4.215 -15.998 3.659 1.00 0.00 N ATOM 1466 CA MET A 103 -5.369 -15.972 4.550 1.00 0.00 C ATOM 1467 C MET A 103 -6.196 -14.709 4.331 1.00 0.00 C ATOM 1468 O MET A 103 -7.398 -14.688 4.599 1.00 0.00 O ATOM 1469 CB MET A 103 -4.917 -16.054 6.009 1.00 0.00 C ATOM 1470 CG MET A 103 -4.581 -14.702 6.617 1.00 0.00 C ATOM 1471 SD MET A 103 -2.838 -14.275 6.442 1.00 0.00 S ATOM 1472 CE MET A 103 -2.131 -15.164 7.827 1.00 0.00 C ATOM 0 H MET A 103 -3.429 -15.428 3.971 1.00 0.00 H new ATOM 0 HA MET A 103 -5.992 -16.837 4.322 1.00 0.00 H new ATOM 0 HB2 MET A 103 -5.704 -16.523 6.599 1.00 0.00 H new ATOM 0 HB3 MET A 103 -4.042 -16.700 6.074 1.00 0.00 H new ATOM 0 HG2 MET A 103 -5.189 -13.933 6.141 1.00 0.00 H new ATOM 0 HG3 MET A 103 -4.845 -14.708 7.674 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.104 -14.835 7.984 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.717 -14.965 8.724 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.141 -16.233 7.616 1.00 0.00 H new ATOM 1482 N LEU A 104 -5.545 -13.659 3.844 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.221 -12.391 3.590 1.00 0.00 C ATOM 1484 C LEU A 104 -6.158 -12.028 2.109 1.00 0.00 C ATOM 1485 O LEU A 104 -5.087 -12.037 1.504 1.00 0.00 O ATOM 1486 CB LEU A 104 -5.589 -11.277 4.427 1.00 0.00 C ATOM 1487 CG LEU A 104 -4.083 -11.388 4.664 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -3.315 -10.985 3.414 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -3.665 -10.529 5.849 1.00 0.00 C ATOM 0 H LEU A 104 -4.551 -13.660 3.617 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.267 -12.502 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.790 -10.324 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.088 -11.250 5.396 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.846 -12.427 4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.245 -11.070 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.592 -11.641 2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.557 -9.954 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.590 -10.620 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.916 -9.487 5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.190 -10.864 6.744 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.313 -11.707 1.535 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.388 -11.339 0.126 1.00 0.00 C ATOM 1503 C GLN A 105 -8.349 -10.173 -0.082 1.00 0.00 C ATOM 1504 O GLN A 105 -9.313 -10.009 0.665 1.00 0.00 O ATOM 1505 CB GLN A 105 -7.834 -12.538 -0.713 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.375 -13.875 -0.154 1.00 0.00 C ATOM 1507 CD GLN A 105 -8.093 -15.050 -0.789 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -8.762 -15.826 -0.106 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -7.959 -15.186 -2.103 1.00 0.00 N ATOM 0 H GLN A 105 -8.209 -11.694 2.023 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.394 -11.029 -0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.922 -12.537 -0.784 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.449 -12.426 -1.726 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.302 -13.981 -0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.542 -13.891 0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.395 -14.519 -2.630 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.420 -15.957 -2.586 1.00 0.00 H new ATOM 1518 N GLY A 106 -8.079 -9.364 -1.102 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.928 -8.223 -1.389 1.00 0.00 C ATOM 1520 C GLY A 106 -8.282 -7.246 -2.351 1.00 0.00 C ATOM 1521 O GLY A 106 -7.684 -7.652 -3.349 1.00 0.00 O ATOM 0 H GLY A 106 -7.287 -9.479 -1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.871 -8.573 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -9.166 -7.708 -0.458 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.403 -5.957 -2.054 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.826 -4.921 -2.902 1.00 0.00 C ATOM 1527 C ILE A 107 -7.026 -3.918 -2.077 1.00 0.00 C ATOM 1528 O ILE A 107 -7.211 -3.807 -0.865 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.914 -4.168 -3.690 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.864 -3.449 -2.731 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -9.682 -5.131 -4.584 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.814 -2.496 -3.423 1.00 0.00 C ATOM 0 H ILE A 107 -8.895 -5.605 -1.233 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.161 -5.423 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.433 -3.421 -4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.443 -4.191 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.277 -2.896 -1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.448 -4.584 -5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.995 -5.601 -5.288 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -10.154 -5.898 -3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.458 -2.022 -2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.243 -1.732 -3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.427 -3.047 -4.136 1.00 0.00 H new ATOM 1544 N PHE A 108 -6.137 -3.188 -2.743 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.309 -2.193 -2.072 1.00 0.00 C ATOM 1546 C PHE A 108 -4.911 -1.078 -3.034 1.00 0.00 C ATOM 1547 O PHE A 108 -4.952 -1.234 -4.255 1.00 0.00 O ATOM 1548 CB PHE A 108 -4.056 -2.851 -1.489 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.595 -4.053 -2.262 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -4.130 -5.305 -2.005 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -2.627 -3.932 -3.246 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -3.707 -6.413 -2.714 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -2.201 -5.036 -3.959 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.742 -6.279 -3.693 1.00 0.00 C ATOM 0 H PHE A 108 -5.972 -3.267 -3.746 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.893 -1.758 -1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.250 -2.117 -1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.256 -3.146 -0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.886 -5.416 -1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.200 -2.963 -3.458 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -4.131 -7.384 -2.503 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.446 -4.927 -4.723 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.411 -7.144 -4.249 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.517 0.075 -2.473 1.00 0.00 N ATOM 1565 CA PRO A 109 -4.104 1.239 -3.263 1.00 0.00 C ATOM 1566 C PRO A 109 -2.773 1.016 -3.972 1.00 0.00 C ATOM 1567 O PRO A 109 -1.821 0.503 -3.382 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.973 2.348 -2.216 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.699 1.634 -0.938 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.444 0.330 -1.025 1.00 0.00 C ATOM 0 HA PRO A 109 -4.814 1.465 -4.058 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -3.165 3.035 -2.466 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.886 2.940 -2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.630 1.465 -0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -4.036 2.220 -0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.918 -0.469 -0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.436 0.403 -0.579 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.712 1.403 -5.241 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.496 1.248 -6.032 1.00 0.00 C ATOM 1580 C LYS A 110 -0.369 2.109 -5.472 1.00 0.00 C ATOM 1581 O LYS A 110 0.797 1.714 -5.493 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.761 1.622 -7.492 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.866 0.804 -8.138 1.00 0.00 C ATOM 1584 CD LYS A 110 -3.263 1.374 -9.490 1.00 0.00 C ATOM 1585 CE LYS A 110 -2.312 0.919 -10.587 1.00 0.00 C ATOM 1586 NZ LYS A 110 -2.525 1.673 -11.853 1.00 0.00 N ATOM 0 H LYS A 110 -3.491 1.827 -5.745 1.00 0.00 H new ATOM 0 HA LYS A 110 -1.190 0.203 -5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.024 2.679 -7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.842 1.492 -8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.533 -0.227 -8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.736 0.783 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.278 1.061 -9.734 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.268 2.463 -9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.283 1.052 -10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.452 -0.146 -10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.858 1.334 -12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.500 1.526 -12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.366 2.687 -11.684 1.00 0.00 H new ATOM 1600 N SER A 111 -0.724 3.288 -4.970 1.00 0.00 N ATOM 1601 CA SER A 111 0.258 4.206 -4.406 1.00 0.00 C ATOM 1602 C SER A 111 0.999 3.560 -3.239 1.00 0.00 C ATOM 1603 O SER A 111 1.998 4.090 -2.753 1.00 0.00 O ATOM 1604 CB SER A 111 -0.424 5.494 -3.941 1.00 0.00 C ATOM 1605 OG SER A 111 -1.345 5.234 -2.895 1.00 0.00 O ATOM 0 H SER A 111 -1.685 3.629 -4.943 1.00 0.00 H new ATOM 0 HA SER A 111 0.982 4.447 -5.185 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.328 6.205 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.943 5.958 -4.780 1.00 0.00 H new ATOM 0 HG SER A 111 -0.856 5.071 -2.062 1.00 0.00 H new ATOM 1611 N PHE A 112 0.502 2.410 -2.795 1.00 0.00 N ATOM 1612 CA PHE A 112 1.115 1.690 -1.685 1.00 0.00 C ATOM 1613 C PHE A 112 1.933 0.505 -2.190 1.00 0.00 C ATOM 1614 O PHE A 112 2.852 0.040 -1.516 1.00 0.00 O ATOM 1615 CB PHE A 112 0.041 1.204 -0.709 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.513 2.294 0.164 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -1.197 3.364 -0.390 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.350 2.248 1.539 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.706 4.368 0.411 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.858 3.249 2.346 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.538 4.310 1.781 1.00 0.00 C ATOM 0 H PHE A 112 -0.324 1.957 -3.187 1.00 0.00 H new ATOM 0 HA PHE A 112 1.784 2.376 -1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.774 0.752 -1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.463 0.422 -0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.334 3.414 -1.460 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.180 1.420 1.986 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -2.235 5.198 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.723 3.201 3.417 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.938 5.093 2.409 1.00 0.00 H new ATOM 1631 N ILE A 113 1.590 0.022 -3.380 1.00 0.00 N ATOM 1632 CA ILE A 113 2.292 -1.108 -3.976 1.00 0.00 C ATOM 1633 C ILE A 113 3.449 -0.637 -4.850 1.00 0.00 C ATOM 1634 O ILE A 113 3.266 0.175 -5.757 1.00 0.00 O ATOM 1635 CB ILE A 113 1.344 -1.976 -4.823 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.258 -2.596 -3.940 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.126 -3.060 -5.550 1.00 0.00 C ATOM 1638 CD1 ILE A 113 0.807 -3.367 -2.761 1.00 0.00 C ATOM 0 H ILE A 113 0.831 0.395 -3.950 1.00 0.00 H new ATOM 0 HA ILE A 113 2.682 -1.707 -3.153 1.00 0.00 H new ATOM 0 HB ILE A 113 0.862 -1.342 -5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.397 -1.805 -3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.355 -3.263 -4.546 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.442 -3.665 -6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 113 2.865 -2.598 -6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.632 -3.694 -4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.018 -3.778 -2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.439 -4.180 -3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.397 -2.700 -2.132 1.00 0.00 H new ATOM 1650 N HIS A 114 4.642 -1.153 -4.571 1.00 0.00 N ATOM 1651 CA HIS A 114 5.830 -0.787 -5.334 1.00 0.00 C ATOM 1652 C HIS A 114 6.220 -1.902 -6.301 1.00 0.00 C ATOM 1653 O HIS A 114 6.875 -2.870 -5.915 1.00 0.00 O ATOM 1654 CB HIS A 114 6.995 -0.485 -4.391 1.00 0.00 C ATOM 1655 CG HIS A 114 8.225 0.000 -5.094 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.302 1.229 -5.714 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.433 -0.585 -5.271 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.503 1.378 -6.244 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.208 0.291 -5.989 1.00 0.00 N ATOM 0 H HIS A 114 4.812 -1.825 -3.823 1.00 0.00 H new ATOM 0 HA HIS A 114 5.598 0.108 -5.912 1.00 0.00 H new ATOM 0 HB2 HIS A 114 6.680 0.267 -3.667 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.239 -1.386 -3.829 1.00 0.00 H new ATOM 0 HD2 HIS A 114 9.731 -1.560 -4.914 1.00 0.00 H new ATOM 0 HE1 HIS A 114 9.849 2.242 -6.792 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.172 0.129 -6.279 1.00 0.00 H new ATOM 1668 N ILE A 115 5.811 -1.758 -7.557 1.00 0.00 N ATOM 1669 CA ILE A 115 6.117 -2.752 -8.578 1.00 0.00 C ATOM 1670 C ILE A 115 7.617 -2.818 -8.849 1.00 0.00 C ATOM 1671 O ILE A 115 8.247 -1.809 -9.165 1.00 0.00 O ATOM 1672 CB ILE A 115 5.382 -2.450 -9.897 1.00 0.00 C ATOM 1673 CG1 ILE A 115 3.877 -2.322 -9.649 1.00 0.00 C ATOM 1674 CG2 ILE A 115 5.665 -3.537 -10.923 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.255 -3.565 -9.053 1.00 0.00 C ATOM 0 H ILE A 115 5.267 -0.963 -7.892 1.00 0.00 H new ATOM 0 HA ILE A 115 5.776 -3.713 -8.194 1.00 0.00 H new ATOM 0 HB ILE A 115 5.749 -1.502 -10.291 1.00 0.00 H new ATOM 0 HG12 ILE A 115 3.697 -1.480 -8.981 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.380 -2.093 -10.592 1.00 0.00 H new ATOM 0 HG21 ILE A 115 5.138 -3.309 -11.850 1.00 0.00 H new ATOM 0 HG22 ILE A 115 6.737 -3.584 -11.117 1.00 0.00 H new ATOM 0 HG23 ILE A 115 5.323 -4.498 -10.539 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.187 -3.402 -8.904 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.403 -4.406 -9.730 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.726 -3.783 -8.094 1.00 0.00 H new ATOM 1687 N LYS A 116 8.183 -4.014 -8.725 1.00 0.00 N ATOM 1688 CA LYS A 116 9.608 -4.214 -8.959 1.00 0.00 C ATOM 1689 C LYS A 116 9.896 -4.383 -10.447 1.00 0.00 C ATOM 1690 O LYS A 116 10.760 -5.169 -10.835 1.00 0.00 O ATOM 1691 CB LYS A 116 10.105 -5.440 -8.190 1.00 0.00 C ATOM 1692 CG LYS A 116 9.989 -5.300 -6.682 1.00 0.00 C ATOM 1693 CD LYS A 116 10.219 -6.628 -5.980 1.00 0.00 C ATOM 1694 CE LYS A 116 11.688 -6.834 -5.644 1.00 0.00 C ATOM 1695 NZ LYS A 116 12.442 -7.417 -6.787 1.00 0.00 N ATOM 0 H LYS A 116 7.676 -4.860 -8.464 1.00 0.00 H new ATOM 0 HA LYS A 116 10.137 -3.330 -8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.538 -6.314 -8.510 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.147 -5.624 -8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.715 -4.569 -6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.001 -4.918 -6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.627 -6.665 -5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.873 -7.442 -6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.134 -5.880 -5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.774 -7.492 -4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.164 -8.074 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.786 -7.930 -7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.904 -6.655 -7.323 1.00 0.00 H new