USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=11 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 97 TYR OH : rot 30:sc= 0.59 USER MOD Set 1.2: A 102 LYS NZ :NH3+ 151:sc= 1.52 (180deg=-0.474) USER MOD Single : A 61 HIS : no HD1:sc= -6.06! C(o=-6.1!,f=-8.6!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0936 K(o=-0.094,f=-3.3!) 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= -0.0197 K(o=-0.02,f=-0.95) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot -122:sc= 0.114 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 100 LYS NZ :NH3+ -115:sc= -1.04! (180deg=-6.87!) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -1.69! C(o=-1.7!,f=-7.4!) USER MOD Single : A 110 LYS NZ :NH3+ -159:sc= 0.286 (180deg=0.149) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0714 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 781 N ARG A 60 2.446 -9.864 -11.450 1.00 0.00 N ATOM 782 CA ARG A 60 3.402 -8.793 -11.196 1.00 0.00 C ATOM 783 C ARG A 60 3.871 -8.817 -9.744 1.00 0.00 C ATOM 784 O ARG A 60 3.092 -9.101 -8.833 1.00 0.00 O ATOM 785 CB ARG A 60 2.775 -7.435 -11.518 1.00 0.00 C ATOM 786 CG ARG A 60 3.787 -6.381 -11.937 1.00 0.00 C ATOM 787 CD ARG A 60 3.146 -5.304 -12.797 1.00 0.00 C ATOM 788 NE ARG A 60 2.950 -5.747 -14.175 1.00 0.00 N ATOM 789 CZ ARG A 60 3.923 -5.791 -15.078 1.00 0.00 C ATOM 790 NH1 ARG A 60 5.154 -5.422 -14.750 1.00 0.00 N ATOM 791 NH2 ARG A 60 3.667 -6.207 -16.312 1.00 0.00 N ATOM 0 HA ARG A 60 4.266 -8.949 -11.842 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.044 -7.562 -12.316 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.233 -7.078 -10.643 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.228 -5.926 -11.050 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.599 -6.854 -12.489 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.185 -5.021 -12.367 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.773 -4.413 -12.789 1.00 0.00 H new ATOM 0 HE ARG A 60 2.015 -6.038 -14.459 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.355 -5.103 -13.802 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.899 -5.457 -15.446 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.722 -6.493 -16.568 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.415 -6.240 -17.004 1.00 0.00 H new ATOM 805 N HIS A 61 5.150 -8.518 -9.536 1.00 0.00 N ATOM 806 CA HIS A 61 5.723 -8.505 -8.195 1.00 0.00 C ATOM 807 C HIS A 61 5.665 -7.104 -7.592 1.00 0.00 C ATOM 808 O HIS A 61 6.244 -6.162 -8.131 1.00 0.00 O ATOM 809 CB HIS A 61 7.170 -8.998 -8.231 1.00 0.00 C ATOM 810 CG HIS A 61 7.597 -9.696 -6.977 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.746 -9.371 -6.288 1.00 0.00 N ATOM 812 CD2 HIS A 61 7.020 -10.708 -6.286 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.858 -10.153 -5.229 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.823 -10.973 -5.205 1.00 0.00 N ATOM 0 H HIS A 61 5.808 -8.282 -10.278 1.00 0.00 H new ATOM 0 HA HIS A 61 5.134 -9.175 -7.569 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.293 -9.677 -9.075 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.830 -8.149 -8.407 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.099 -11.213 -6.539 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.660 -10.126 -4.506 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.649 -11.687 -4.498 1.00 0.00 H new ATOM 823 N GLY A 62 4.962 -6.976 -6.471 1.00 0.00 N ATOM 824 CA GLY A 62 4.841 -5.687 -5.815 1.00 0.00 C ATOM 825 C GLY A 62 5.302 -5.726 -4.372 1.00 0.00 C ATOM 826 O GLY A 62 5.463 -6.800 -3.792 1.00 0.00 O ATOM 0 H GLY A 62 4.474 -7.741 -6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.428 -4.948 -6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.802 -5.360 -5.853 1.00 0.00 H new ATOM 830 N VAL A 63 5.516 -4.550 -3.789 1.00 0.00 N ATOM 831 CA VAL A 63 5.962 -4.454 -2.404 1.00 0.00 C ATOM 832 C VAL A 63 5.355 -3.237 -1.715 1.00 0.00 C ATOM 833 O VAL A 63 5.407 -2.124 -2.237 1.00 0.00 O ATOM 834 CB VAL A 63 7.497 -4.369 -2.313 1.00 0.00 C ATOM 835 CG1 VAL A 63 7.921 -3.771 -0.980 1.00 0.00 C ATOM 836 CG2 VAL A 63 8.119 -5.742 -2.513 1.00 0.00 C ATOM 0 H VAL A 63 5.388 -3.651 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 63 5.625 -5.360 -1.899 1.00 0.00 H new ATOM 0 HB VAL A 63 7.855 -3.714 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.009 -3.719 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.505 -2.768 -0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.553 -4.397 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.204 -5.663 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.756 -6.422 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.844 -6.127 -3.495 1.00 0.00 H new ATOM 846 N ALA A 64 4.779 -3.457 -0.537 1.00 0.00 N ATOM 847 CA ALA A 64 4.164 -2.378 0.225 1.00 0.00 C ATOM 848 C ALA A 64 5.216 -1.407 0.749 1.00 0.00 C ATOM 849 O ALA A 64 6.263 -1.821 1.247 1.00 0.00 O ATOM 850 CB ALA A 64 3.346 -2.945 1.377 1.00 0.00 C ATOM 0 H ALA A 64 4.726 -4.373 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 64 3.500 -1.828 -0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.892 -2.128 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.563 -3.593 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.996 -3.520 2.036 1.00 0.00 H new ATOM 856 N ILE A 65 4.931 -0.114 0.633 1.00 0.00 N ATOM 857 CA ILE A 65 5.854 0.915 1.096 1.00 0.00 C ATOM 858 C ILE A 65 5.265 1.695 2.267 1.00 0.00 C ATOM 859 O ILE A 65 5.982 2.394 2.983 1.00 0.00 O ATOM 860 CB ILE A 65 6.211 1.900 -0.034 1.00 0.00 C ATOM 861 CG1 ILE A 65 4.955 2.618 -0.531 1.00 0.00 C ATOM 862 CG2 ILE A 65 6.896 1.167 -1.178 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.200 3.504 -1.732 1.00 0.00 C ATOM 0 H ILE A 65 4.069 0.245 0.223 1.00 0.00 H new ATOM 0 HA ILE A 65 6.760 0.404 1.422 1.00 0.00 H new ATOM 0 HB ILE A 65 6.901 2.646 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.199 1.875 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.548 3.223 0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.142 1.876 -1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.810 0.698 -0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.227 0.402 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.266 3.981 -2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.933 4.269 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.578 2.901 -2.558 1.00 0.00 H new ATOM 875 N TYR A 66 3.956 1.569 2.456 1.00 0.00 N ATOM 876 CA TYR A 66 3.271 2.262 3.540 1.00 0.00 C ATOM 877 C TYR A 66 2.295 1.329 4.252 1.00 0.00 C ATOM 878 O TYR A 66 1.562 0.575 3.614 1.00 0.00 O ATOM 879 CB TYR A 66 2.525 3.483 3.001 1.00 0.00 C ATOM 880 CG TYR A 66 3.433 4.634 2.633 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.206 5.271 3.596 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.520 5.084 1.321 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.038 6.323 3.264 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.349 6.135 0.980 1.00 0.00 C ATOM 885 CZ TYR A 66 5.106 6.751 1.955 1.00 0.00 C ATOM 886 OH TYR A 66 5.934 7.798 1.620 1.00 0.00 O ATOM 0 H TYR A 66 3.349 0.994 1.873 1.00 0.00 H new ATOM 0 HA TYR A 66 4.021 2.591 4.259 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.951 3.189 2.122 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.809 3.821 3.751 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.156 4.938 4.622 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.929 4.604 0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.632 6.807 4.025 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.404 6.473 -0.044 1.00 0.00 H new ATOM 0 HH TYR A 66 5.866 7.974 0.658 1.00 0.00 H new ATOM 896 N ASN A 67 2.292 1.388 5.580 1.00 0.00 N ATOM 897 CA ASN A 67 1.408 0.550 6.380 1.00 0.00 C ATOM 898 C ASN A 67 -0.054 0.907 6.130 1.00 0.00 C ATOM 899 O ASN A 67 -0.541 1.939 6.593 1.00 0.00 O ATOM 900 CB ASN A 67 1.734 0.702 7.867 1.00 0.00 C ATOM 901 CG ASN A 67 2.812 -0.262 8.324 1.00 0.00 C ATOM 902 OD1 ASN A 67 2.771 -1.451 8.009 1.00 0.00 O ATOM 903 ND2 ASN A 67 3.783 0.248 9.072 1.00 0.00 N ATOM 0 H ASN A 67 2.892 2.008 6.124 1.00 0.00 H new ATOM 0 HA ASN A 67 1.566 -0.487 6.084 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.058 1.724 8.063 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.830 0.536 8.453 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.535 -0.352 9.410 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.777 1.240 9.309 1.00 0.00 H new ATOM 910 N PHE A 68 -0.751 0.047 5.394 1.00 0.00 N ATOM 911 CA PHE A 68 -2.157 0.272 5.081 1.00 0.00 C ATOM 912 C PHE A 68 -3.058 -0.473 6.062 1.00 0.00 C ATOM 913 O PHE A 68 -2.757 -1.596 6.467 1.00 0.00 O ATOM 914 CB PHE A 68 -2.461 -0.176 3.650 1.00 0.00 C ATOM 915 CG PHE A 68 -3.913 -0.061 3.281 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.786 -1.110 3.518 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.403 1.096 2.698 1.00 0.00 C ATOM 918 CE1 PHE A 68 -6.123 -1.007 3.180 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.738 1.205 2.359 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.599 0.152 2.599 1.00 0.00 C ATOM 0 H PHE A 68 -0.364 -0.812 5.003 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.357 1.340 5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.870 0.423 2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.144 -1.212 3.527 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.418 -2.018 3.972 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.734 1.922 2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.794 -1.832 3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.108 2.113 1.907 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.642 0.235 2.333 1.00 0.00 H new ATOM 930 N GLN A 69 -4.164 0.160 6.439 1.00 0.00 N ATOM 931 CA GLN A 69 -5.108 -0.442 7.373 1.00 0.00 C ATOM 932 C GLN A 69 -6.546 -0.194 6.929 1.00 0.00 C ATOM 933 O GLN A 69 -7.016 0.943 6.921 1.00 0.00 O ATOM 934 CB GLN A 69 -4.892 0.117 8.780 1.00 0.00 C ATOM 935 CG GLN A 69 -5.137 1.614 8.884 1.00 0.00 C ATOM 936 CD GLN A 69 -4.612 2.202 10.179 1.00 0.00 C ATOM 937 OE1 GLN A 69 -5.364 2.404 11.133 1.00 0.00 O ATOM 938 NE2 GLN A 69 -3.314 2.481 10.219 1.00 0.00 N ATOM 0 H GLN A 69 -4.428 1.089 6.112 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.932 -1.518 7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.555 -0.400 9.473 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.871 -0.098 9.095 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.660 2.116 8.042 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.207 1.810 8.808 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.728 2.297 9.405 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.904 2.879 11.064 1.00 0.00 H new ATOM 947 N GLY A 70 -7.240 -1.266 6.560 1.00 0.00 N ATOM 948 CA GLY A 70 -8.617 -1.143 6.119 1.00 0.00 C ATOM 949 C GLY A 70 -9.603 -1.666 7.145 1.00 0.00 C ATOM 950 O GLY A 70 -9.335 -1.634 8.346 1.00 0.00 O ATOM 0 H GLY A 70 -6.873 -2.218 6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.836 -0.096 5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.746 -1.689 5.184 1.00 0.00 H new ATOM 954 N SER A 71 -10.747 -2.148 6.671 1.00 0.00 N ATOM 955 CA SER A 71 -11.779 -2.675 7.557 1.00 0.00 C ATOM 956 C SER A 71 -12.081 -4.135 7.230 1.00 0.00 C ATOM 957 O SER A 71 -12.217 -4.968 8.126 1.00 0.00 O ATOM 958 CB SER A 71 -13.056 -1.840 7.441 1.00 0.00 C ATOM 959 OG SER A 71 -12.843 -0.516 7.898 1.00 0.00 O ATOM 0 H SER A 71 -10.983 -2.185 5.679 1.00 0.00 H new ATOM 0 HA SER A 71 -11.408 -2.618 8.581 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.389 -1.821 6.403 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.852 -2.305 8.022 1.00 0.00 H new ATOM 0 HG SER A 71 -13.673 -0.003 7.812 1.00 0.00 H new ATOM 965 N GLY A 72 -12.185 -4.437 5.940 1.00 0.00 N ATOM 966 CA GLY A 72 -12.471 -5.796 5.517 1.00 0.00 C ATOM 967 C GLY A 72 -12.736 -5.896 4.027 1.00 0.00 C ATOM 968 O GLY A 72 -13.010 -4.892 3.370 1.00 0.00 O ATOM 0 H GLY A 72 -12.076 -3.765 5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.630 -6.439 5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.338 -6.168 6.063 1.00 0.00 H new ATOM 972 N ALA A 73 -12.652 -7.110 3.493 1.00 0.00 N ATOM 973 CA ALA A 73 -12.886 -7.337 2.073 1.00 0.00 C ATOM 974 C ALA A 73 -14.011 -6.449 1.552 1.00 0.00 C ATOM 975 O ALA A 73 -14.929 -6.076 2.283 1.00 0.00 O ATOM 976 CB ALA A 73 -13.206 -8.802 1.818 1.00 0.00 C ATOM 0 H ALA A 73 -12.424 -7.951 4.023 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.975 -7.077 1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.379 -8.957 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.369 -9.419 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.101 -9.081 2.375 1.00 0.00 H new ATOM 982 N PRO A 74 -13.941 -6.100 0.259 1.00 0.00 N ATOM 983 CA PRO A 74 -12.853 -6.537 -0.621 1.00 0.00 C ATOM 984 C PRO A 74 -11.523 -5.878 -0.270 1.00 0.00 C ATOM 985 O PRO A 74 -10.493 -6.181 -0.871 1.00 0.00 O ATOM 986 CB PRO A 74 -13.319 -6.093 -2.009 1.00 0.00 C ATOM 987 CG PRO A 74 -14.241 -4.951 -1.752 1.00 0.00 C ATOM 988 CD PRO A 74 -14.918 -5.252 -0.444 1.00 0.00 C ATOM 0 HA PRO A 74 -12.670 -7.608 -0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.477 -5.790 -2.631 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.827 -6.902 -2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.692 -4.011 -1.700 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.971 -4.850 -2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.135 -4.342 0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.866 -5.769 -0.592 1.00 0.00 H new ATOM 996 N GLN A 75 -11.554 -4.977 0.707 1.00 0.00 N ATOM 997 CA GLN A 75 -10.351 -4.276 1.137 1.00 0.00 C ATOM 998 C GLN A 75 -9.413 -5.214 1.889 1.00 0.00 C ATOM 999 O GLN A 75 -9.833 -5.931 2.798 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.718 -3.085 2.024 1.00 0.00 C ATOM 1001 CG GLN A 75 -11.522 -2.014 1.304 1.00 0.00 C ATOM 1002 CD GLN A 75 -12.315 -1.141 2.255 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -12.103 -1.171 3.467 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -13.236 -0.355 1.709 1.00 0.00 N ATOM 0 H GLN A 75 -12.399 -4.716 1.215 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.836 -3.913 0.248 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.290 -3.443 2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.804 -2.639 2.416 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.846 -1.389 0.721 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.204 -2.490 0.599 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.379 -0.362 0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.801 0.255 2.300 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.142 -5.206 1.503 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.143 -6.058 2.140 1.00 0.00 C ATOM 1015 C LEU A 76 -6.066 -5.219 2.821 1.00 0.00 C ATOM 1016 O LEU A 76 -5.605 -4.218 2.272 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.504 -6.988 1.108 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.258 -7.746 1.568 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -5.648 -8.977 2.372 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.400 -8.136 0.373 1.00 0.00 C ATOM 0 H LEU A 76 -7.778 -4.619 0.752 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.645 -6.658 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.252 -7.716 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.242 -6.398 0.230 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.673 -7.089 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.748 -9.503 2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.220 -8.673 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.255 -9.638 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.518 -8.674 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.976 -8.775 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.091 -7.238 -0.161 1.00 0.00 H new ATOM 1032 N SER A 77 -5.669 -5.634 4.020 1.00 0.00 N ATOM 1033 CA SER A 77 -4.648 -4.920 4.777 1.00 0.00 C ATOM 1034 C SER A 77 -3.255 -5.233 4.238 1.00 0.00 C ATOM 1035 O SER A 77 -3.013 -6.314 3.701 1.00 0.00 O ATOM 1036 CB SER A 77 -4.729 -5.290 6.259 1.00 0.00 C ATOM 1037 OG SER A 77 -4.388 -6.650 6.464 1.00 0.00 O ATOM 0 H SER A 77 -6.039 -6.461 4.488 1.00 0.00 H new ATOM 0 HA SER A 77 -4.830 -3.851 4.667 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.057 -4.653 6.834 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.738 -5.105 6.629 1.00 0.00 H new ATOM 0 HG SER A 77 -4.446 -6.861 7.419 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.343 -4.279 4.387 1.00 0.00 N ATOM 1044 CA LEU A 78 -0.972 -4.451 3.916 1.00 0.00 C ATOM 1045 C LEU A 78 0.023 -3.864 4.912 1.00 0.00 C ATOM 1046 O LEU A 78 -0.316 -2.975 5.692 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.795 -3.787 2.550 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.217 -4.620 1.339 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -0.898 -3.884 0.047 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.534 -5.980 1.363 1.00 0.00 C ATOM 0 H LEU A 78 -2.527 -3.379 4.830 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.777 -5.519 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.365 -2.858 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.255 -3.518 2.433 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.295 -4.776 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.205 -4.492 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.434 -2.935 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.174 -3.696 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.846 -6.559 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.547 -5.845 1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.814 -6.512 2.273 1.00 0.00 H new ATOM 1062 N GLN A 79 1.253 -4.368 4.878 1.00 0.00 N ATOM 1063 CA GLN A 79 2.297 -3.892 5.778 1.00 0.00 C ATOM 1064 C GLN A 79 3.565 -3.546 5.004 1.00 0.00 C ATOM 1065 O GLN A 79 3.879 -4.176 3.994 1.00 0.00 O ATOM 1066 CB GLN A 79 2.606 -4.950 6.839 1.00 0.00 C ATOM 1067 CG GLN A 79 1.712 -4.861 8.065 1.00 0.00 C ATOM 1068 CD GLN A 79 1.828 -6.078 8.961 1.00 0.00 C ATOM 1069 OE1 GLN A 79 2.877 -6.719 9.024 1.00 0.00 O ATOM 1070 NE2 GLN A 79 0.748 -6.402 9.662 1.00 0.00 N ATOM 0 H GLN A 79 1.550 -5.105 4.238 1.00 0.00 H new ATOM 0 HA GLN A 79 1.935 -2.989 6.270 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.502 -5.940 6.394 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.646 -4.848 7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.971 -3.969 8.635 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.676 -4.746 7.747 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.101 -5.842 9.579 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.767 -7.211 10.283 1.00 0.00 H new ATOM 1079 N ILE A 80 4.289 -2.540 5.484 1.00 0.00 N ATOM 1080 CA ILE A 80 5.523 -2.111 4.837 1.00 0.00 C ATOM 1081 C ILE A 80 6.496 -3.275 4.682 1.00 0.00 C ATOM 1082 O ILE A 80 6.784 -3.989 5.642 1.00 0.00 O ATOM 1083 CB ILE A 80 6.210 -0.983 5.629 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.319 0.260 5.667 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.563 -0.654 5.016 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.833 1.344 6.588 1.00 0.00 C ATOM 0 H ILE A 80 4.042 -2.007 6.318 1.00 0.00 H new ATOM 0 HA ILE A 80 5.249 -1.737 3.851 1.00 0.00 H new ATOM 0 HB ILE A 80 6.370 -1.323 6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.229 0.664 4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.317 -0.030 5.984 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.036 0.145 5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.197 -1.540 5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.426 -0.331 3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.152 2.195 6.565 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.896 0.957 7.605 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.822 1.662 6.259 1.00 0.00 H new ATOM 1098 N GLY A 81 7.001 -3.458 3.466 1.00 0.00 N ATOM 1099 CA GLY A 81 7.939 -4.536 3.208 1.00 0.00 C ATOM 1100 C GLY A 81 7.244 -5.857 2.941 1.00 0.00 C ATOM 1101 O GLY A 81 7.810 -6.923 3.184 1.00 0.00 O ATOM 0 H GLY A 81 6.778 -2.880 2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.560 -4.276 2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.606 -4.646 4.063 1.00 0.00 H new ATOM 1105 N ASP A 82 6.015 -5.787 2.442 1.00 0.00 N ATOM 1106 CA ASP A 82 5.242 -6.987 2.143 1.00 0.00 C ATOM 1107 C ASP A 82 5.048 -7.147 0.638 1.00 0.00 C ATOM 1108 O ASP A 82 4.683 -6.198 -0.056 1.00 0.00 O ATOM 1109 CB ASP A 82 3.883 -6.932 2.842 1.00 0.00 C ATOM 1110 CG ASP A 82 4.011 -6.901 4.352 1.00 0.00 C ATOM 1111 OD1 ASP A 82 4.961 -6.266 4.855 1.00 0.00 O ATOM 1112 OD2 ASP A 82 3.160 -7.514 5.032 1.00 0.00 O ATOM 0 H ASP A 82 5.533 -4.912 2.236 1.00 0.00 H new ATOM 0 HA ASP A 82 5.797 -7.849 2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.341 -6.047 2.508 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.291 -7.799 2.548 1.00 0.00 H new ATOM 1117 N VAL A 83 5.295 -8.354 0.139 1.00 0.00 N ATOM 1118 CA VAL A 83 5.147 -8.639 -1.283 1.00 0.00 C ATOM 1119 C VAL A 83 3.856 -9.400 -1.560 1.00 0.00 C ATOM 1120 O VAL A 83 3.520 -10.352 -0.854 1.00 0.00 O ATOM 1121 CB VAL A 83 6.338 -9.457 -1.818 1.00 0.00 C ATOM 1122 CG1 VAL A 83 6.152 -9.765 -3.296 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.644 -8.715 -1.579 1.00 0.00 C ATOM 0 H VAL A 83 5.599 -9.151 0.699 1.00 0.00 H new ATOM 0 HA VAL A 83 5.115 -7.678 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 83 6.380 -10.402 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.003 -10.343 -3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.237 -10.340 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.083 -8.832 -3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.475 -9.307 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.616 -7.754 -2.092 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.779 -8.551 -0.510 1.00 0.00 H new ATOM 1133 N VAL A 84 3.135 -8.976 -2.592 1.00 0.00 N ATOM 1134 CA VAL A 84 1.880 -9.619 -2.964 1.00 0.00 C ATOM 1135 C VAL A 84 1.839 -9.921 -4.458 1.00 0.00 C ATOM 1136 O VAL A 84 2.328 -9.139 -5.273 1.00 0.00 O ATOM 1137 CB VAL A 84 0.669 -8.741 -2.596 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.637 -8.477 -1.098 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.701 -7.435 -3.375 1.00 0.00 C ATOM 0 H VAL A 84 3.398 -8.190 -3.186 1.00 0.00 H new ATOM 0 HA VAL A 84 1.825 -10.553 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.241 -9.276 -2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.225 -7.855 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.563 -9.424 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.550 -7.962 -0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.162 -6.827 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.616 -6.892 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.672 -7.648 -4.444 1.00 0.00 H new ATOM 1149 N ARG A 85 1.251 -11.060 -4.810 1.00 0.00 N ATOM 1150 CA ARG A 85 1.147 -11.466 -6.206 1.00 0.00 C ATOM 1151 C ARG A 85 -0.025 -10.767 -6.889 1.00 0.00 C ATOM 1152 O ARG A 85 -1.179 -11.160 -6.720 1.00 0.00 O ATOM 1153 CB ARG A 85 0.978 -12.983 -6.307 1.00 0.00 C ATOM 1154 CG ARG A 85 1.425 -13.558 -7.640 1.00 0.00 C ATOM 1155 CD ARG A 85 2.931 -13.443 -7.820 1.00 0.00 C ATOM 1156 NE ARG A 85 3.458 -14.478 -8.706 1.00 0.00 N ATOM 1157 CZ ARG A 85 4.755 -14.692 -8.895 1.00 0.00 C ATOM 1158 NH1 ARG A 85 5.653 -13.947 -8.265 1.00 0.00 N ATOM 1159 NH2 ARG A 85 5.157 -15.653 -9.717 1.00 0.00 N ATOM 0 H ARG A 85 0.840 -11.718 -4.148 1.00 0.00 H new ATOM 0 HA ARG A 85 2.067 -11.175 -6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.547 -13.457 -5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.070 -13.235 -6.145 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.129 -14.605 -7.703 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.920 -13.034 -8.451 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.173 -12.461 -8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.419 -13.515 -6.848 1.00 0.00 H new ATOM 0 HE ARG A 85 2.794 -15.068 -9.207 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.348 -13.207 -7.633 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.648 -14.114 -8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.470 -16.228 -10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.153 -15.817 -9.862 1.00 0.00 H new ATOM 1173 N ILE A 86 0.280 -9.728 -7.660 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.747 -8.975 -8.369 1.00 0.00 C ATOM 1175 C ILE A 86 -1.368 -9.809 -9.485 1.00 0.00 C ATOM 1176 O ILE A 86 -0.693 -10.178 -10.445 1.00 0.00 O ATOM 1177 CB ILE A 86 -0.179 -7.676 -8.969 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.411 -6.794 -7.866 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -1.262 -6.926 -9.730 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.258 -5.656 -8.391 1.00 0.00 C ATOM 0 H ILE A 86 1.230 -9.389 -7.809 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.515 -8.722 -7.638 1.00 0.00 H new ATOM 0 HB ILE A 86 0.617 -7.934 -9.667 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.402 -6.385 -7.266 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.017 -7.412 -7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.845 -6.010 -10.148 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.641 -7.554 -10.537 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.077 -6.676 -9.051 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.643 -5.073 -7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.091 -6.058 -8.967 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.651 -5.015 -9.030 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.658 -10.099 -9.351 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.370 -10.888 -10.350 1.00 0.00 C ATOM 1194 C GLN A 87 -4.186 -9.989 -11.273 1.00 0.00 C ATOM 1195 O GLN A 87 -4.201 -10.182 -12.488 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.287 -11.905 -9.668 1.00 0.00 C ATOM 1197 CG GLN A 87 -3.575 -12.775 -8.645 1.00 0.00 C ATOM 1198 CD GLN A 87 -4.455 -13.889 -8.112 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -5.063 -13.761 -7.049 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -4.529 -14.990 -8.851 1.00 0.00 N ATOM 0 H GLN A 87 -3.231 -9.800 -8.562 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.632 -11.420 -10.950 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.103 -11.374 -9.177 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.735 -12.545 -10.428 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.683 -13.207 -9.099 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.240 -12.153 -7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.008 -15.053 -9.726 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.107 -15.772 -8.544 1.00 0.00 H new ATOM 1209 N GLU A 88 -4.864 -9.007 -10.687 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.683 -8.079 -11.458 1.00 0.00 C ATOM 1211 C GLU A 88 -5.408 -6.636 -11.045 1.00 0.00 C ATOM 1212 O GLU A 88 -4.829 -6.381 -9.988 1.00 0.00 O ATOM 1213 CB GLU A 88 -7.168 -8.400 -11.273 1.00 0.00 C ATOM 1214 CG GLU A 88 -7.571 -9.756 -11.827 1.00 0.00 C ATOM 1215 CD GLU A 88 -9.016 -9.792 -12.287 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -9.915 -9.648 -11.432 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -9.247 -9.965 -13.502 1.00 0.00 O ATOM 0 H GLU A 88 -4.862 -8.834 -9.682 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.422 -8.193 -12.510 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.409 -8.365 -10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.762 -7.627 -11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.921 -10.010 -12.664 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.418 -10.517 -11.062 1.00 0.00 H new ATOM 1224 N THR A 89 -5.826 -5.696 -11.885 1.00 0.00 N ATOM 1225 CA THR A 89 -5.624 -4.279 -11.609 1.00 0.00 C ATOM 1226 C THR A 89 -6.798 -3.447 -12.112 1.00 0.00 C ATOM 1227 O THR A 89 -7.160 -3.514 -13.287 1.00 0.00 O ATOM 1228 CB THR A 89 -4.327 -3.760 -12.259 1.00 0.00 C ATOM 1229 OG1 THR A 89 -3.213 -4.551 -11.830 1.00 0.00 O ATOM 1230 CG2 THR A 89 -4.088 -2.301 -11.898 1.00 0.00 C ATOM 0 H THR A 89 -6.307 -5.890 -12.763 1.00 0.00 H new ATOM 0 HA THR A 89 -5.547 -4.176 -10.527 1.00 0.00 H new ATOM 0 HB THR A 89 -4.432 -3.838 -13.341 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.545 -3.973 -11.406 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.167 -1.956 -12.368 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.924 -1.697 -12.251 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.002 -2.203 -10.816 1.00 0.00 H new ATOM 1238 N CYS A 90 -7.389 -2.665 -11.216 1.00 0.00 N ATOM 1239 CA CYS A 90 -8.524 -1.819 -11.570 1.00 0.00 C ATOM 1240 C CYS A 90 -8.237 -0.358 -11.240 1.00 0.00 C ATOM 1241 O CYS A 90 -7.914 -0.019 -10.102 1.00 0.00 O ATOM 1242 CB CYS A 90 -9.781 -2.284 -10.833 1.00 0.00 C ATOM 1243 SG CYS A 90 -11.325 -1.902 -11.694 1.00 0.00 S ATOM 0 H CYS A 90 -7.102 -2.599 -10.240 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.689 -1.904 -12.644 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.721 -3.361 -10.678 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.803 -1.821 -9.847 1.00 0.00 H new ATOM 0 HG CYS A 90 -12.331 -2.336 -10.994 1.00 0.00 H new ATOM 1249 N GLY A 91 -8.356 0.505 -12.245 1.00 0.00 N ATOM 1250 CA GLY A 91 -8.104 1.919 -12.042 1.00 0.00 C ATOM 1251 C GLY A 91 -6.877 2.173 -11.189 1.00 0.00 C ATOM 1252 O GLY A 91 -5.765 1.803 -11.564 1.00 0.00 O ATOM 0 H GLY A 91 -8.622 0.249 -13.196 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.977 2.405 -13.009 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.973 2.375 -11.568 1.00 0.00 H new ATOM 1256 N ASP A 92 -7.079 2.808 -10.040 1.00 0.00 N ATOM 1257 CA ASP A 92 -5.979 3.112 -9.131 1.00 0.00 C ATOM 1258 C ASP A 92 -5.977 2.157 -7.942 1.00 0.00 C ATOM 1259 O ASP A 92 -5.779 2.573 -6.800 1.00 0.00 O ATOM 1260 CB ASP A 92 -6.080 4.557 -8.641 1.00 0.00 C ATOM 1261 CG ASP A 92 -4.737 5.120 -8.218 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -4.295 4.818 -7.089 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -4.127 5.861 -9.017 1.00 0.00 O ATOM 0 H ASP A 92 -7.994 3.122 -9.716 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.044 2.986 -9.676 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.498 5.178 -9.433 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.772 4.605 -7.800 1.00 0.00 H new ATOM 1268 N TRP A 93 -6.200 0.877 -8.217 1.00 0.00 N ATOM 1269 CA TRP A 93 -6.225 -0.137 -7.169 1.00 0.00 C ATOM 1270 C TRP A 93 -5.812 -1.498 -7.719 1.00 0.00 C ATOM 1271 O TRP A 93 -6.212 -1.881 -8.818 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.621 -0.225 -6.550 1.00 0.00 C ATOM 1273 CG TRP A 93 -7.979 0.970 -5.720 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -8.244 2.231 -6.171 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -8.110 1.015 -4.295 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.531 3.058 -5.112 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.457 2.336 -3.950 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.971 0.068 -3.277 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.664 2.731 -2.631 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -8.176 0.462 -1.968 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.520 1.784 -1.655 1.00 0.00 C ATOM 0 H TRP A 93 -6.366 0.517 -9.157 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.511 0.154 -6.398 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.357 -0.339 -7.346 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.680 -1.120 -5.930 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.230 2.534 -7.208 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.762 4.049 -5.180 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.708 -0.954 -3.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.929 3.749 -2.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -8.069 -0.261 -1.173 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.674 2.060 -0.622 1.00 0.00 H new ATOM 1292 N TYR A 94 -5.010 -2.223 -6.948 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.541 -3.541 -7.359 1.00 0.00 C ATOM 1294 C TYR A 94 -5.447 -4.638 -6.809 1.00 0.00 C ATOM 1295 O TYR A 94 -6.294 -4.387 -5.951 1.00 0.00 O ATOM 1296 CB TYR A 94 -3.104 -3.766 -6.884 1.00 0.00 C ATOM 1297 CG TYR A 94 -2.073 -3.019 -7.700 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -1.949 -3.237 -9.066 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -1.224 -2.094 -7.104 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -1.008 -2.557 -9.815 1.00 0.00 C ATOM 1301 CE2 TYR A 94 -0.281 -1.409 -7.846 1.00 0.00 C ATOM 1302 CZ TYR A 94 -0.177 -1.644 -9.201 1.00 0.00 C ATOM 1303 OH TYR A 94 0.761 -0.964 -9.943 1.00 0.00 O ATOM 0 H TYR A 94 -4.671 -1.920 -6.035 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.568 -3.584 -8.448 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.022 -3.459 -5.841 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.881 -4.832 -6.920 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.599 -3.950 -9.551 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.303 -1.908 -6.043 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.924 -2.740 -10.876 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.371 -0.693 -7.367 1.00 0.00 H new ATOM 0 HH TYR A 94 1.264 -0.358 -9.359 1.00 0.00 H new ATOM 1313 N ARG A 95 -5.262 -5.856 -7.308 1.00 0.00 N ATOM 1314 CA ARG A 95 -6.062 -6.992 -6.868 1.00 0.00 C ATOM 1315 C ARG A 95 -5.213 -8.258 -6.790 1.00 0.00 C ATOM 1316 O ARG A 95 -4.704 -8.739 -7.801 1.00 0.00 O ATOM 1317 CB ARG A 95 -7.240 -7.213 -7.820 1.00 0.00 C ATOM 1318 CG ARG A 95 -7.802 -8.625 -7.776 1.00 0.00 C ATOM 1319 CD ARG A 95 -8.514 -8.900 -6.461 1.00 0.00 C ATOM 1320 NE ARG A 95 -9.690 -8.051 -6.288 1.00 0.00 N ATOM 1321 CZ ARG A 95 -10.533 -8.163 -5.267 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -10.331 -9.083 -4.334 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -11.581 -7.353 -5.179 1.00 0.00 N ATOM 0 H ARG A 95 -4.565 -6.081 -8.018 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.445 -6.770 -5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.033 -6.507 -7.573 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.920 -6.990 -8.838 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.497 -8.767 -8.604 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.994 -9.344 -7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.814 -9.947 -6.423 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.824 -8.736 -5.634 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.874 -7.333 -6.989 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.527 -9.707 -4.399 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.980 -9.167 -3.551 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.739 -6.644 -5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.228 -7.439 -4.395 1.00 0.00 H new ATOM 1337 N GLY A 96 -5.065 -8.791 -5.581 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.276 -9.995 -5.394 1.00 0.00 C ATOM 1339 C GLY A 96 -4.362 -10.529 -3.978 1.00 0.00 C ATOM 1340 O GLY A 96 -5.414 -10.458 -3.343 1.00 0.00 O ATOM 0 H GLY A 96 -5.477 -8.411 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.618 -10.761 -6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.235 -9.785 -5.637 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.253 -11.067 -3.482 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.208 -11.619 -2.133 1.00 0.00 C ATOM 1346 C TYR A 97 -1.776 -11.666 -1.611 1.00 0.00 C ATOM 1347 O TYR A 97 -0.818 -11.546 -2.377 1.00 0.00 O ATOM 1348 CB TYR A 97 -3.816 -13.022 -2.114 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.110 -14.001 -3.025 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -1.788 -14.362 -2.797 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -3.764 -14.564 -4.114 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.138 -15.255 -3.628 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.123 -15.458 -4.948 1.00 0.00 C ATOM 1354 CZ TYR A 97 -1.810 -15.801 -4.701 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.167 -16.691 -5.531 1.00 0.00 O ATOM 0 H TYR A 97 -2.373 -11.133 -3.994 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.791 -10.968 -1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.792 -13.405 -1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -4.864 -12.958 -2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.259 -13.938 -1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -4.792 -14.298 -4.311 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.109 -15.524 -3.438 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.647 -15.887 -5.790 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.490 -17.183 -5.021 1.00 0.00 H new ATOM 1365 N LEU A 98 -1.636 -11.842 -0.302 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.320 -11.906 0.326 1.00 0.00 C ATOM 1367 C LEU A 98 0.354 -13.244 0.041 1.00 0.00 C ATOM 1368 O LEU A 98 -0.098 -14.290 0.508 1.00 0.00 O ATOM 1369 CB LEU A 98 -0.443 -11.695 1.836 1.00 0.00 C ATOM 1370 CG LEU A 98 0.769 -11.067 2.526 1.00 0.00 C ATOM 1371 CD1 LEU A 98 1.256 -9.853 1.750 1.00 0.00 C ATOM 1372 CD2 LEU A 98 0.428 -10.685 3.959 1.00 0.00 C ATOM 0 H LEU A 98 -2.417 -11.943 0.346 1.00 0.00 H new ATOM 0 HA LEU A 98 0.296 -11.112 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.311 -11.064 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.642 -12.660 2.303 1.00 0.00 H new ATOM 0 HG LEU A 98 1.572 -11.804 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.119 -9.420 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.541 -10.156 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.458 -9.112 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.302 -10.240 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.391 -9.966 3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.129 -11.576 4.512 1.00 0.00 H new ATOM 1384 N ILE A 99 1.439 -13.203 -0.726 1.00 0.00 N ATOM 1385 CA ILE A 99 2.177 -14.412 -1.069 1.00 0.00 C ATOM 1386 C ILE A 99 2.526 -15.216 0.178 1.00 0.00 C ATOM 1387 O ILE A 99 2.198 -16.399 0.280 1.00 0.00 O ATOM 1388 CB ILE A 99 3.473 -14.082 -1.833 1.00 0.00 C ATOM 1389 CG1 ILE A 99 3.157 -13.276 -3.094 1.00 0.00 C ATOM 1390 CG2 ILE A 99 4.219 -15.360 -2.188 1.00 0.00 C ATOM 1391 CD1 ILE A 99 4.358 -12.558 -3.669 1.00 0.00 C ATOM 0 H ILE A 99 1.826 -12.346 -1.121 1.00 0.00 H new ATOM 0 HA ILE A 99 1.527 -15.007 -1.711 1.00 0.00 H new ATOM 0 HB ILE A 99 4.112 -13.478 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.748 -13.946 -3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.383 -12.544 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.133 -15.110 -2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.473 -15.899 -1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.587 -15.988 -2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.060 -12.007 -4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.755 -11.863 -2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.126 -13.286 -3.932 1.00 0.00 H new ATOM 1403 N LYS A 100 3.191 -14.567 1.127 1.00 0.00 N ATOM 1404 CA LYS A 100 3.583 -15.219 2.371 1.00 0.00 C ATOM 1405 C LYS A 100 2.371 -15.823 3.074 1.00 0.00 C ATOM 1406 O LYS A 100 2.479 -16.844 3.753 1.00 0.00 O ATOM 1407 CB LYS A 100 4.278 -14.220 3.299 1.00 0.00 C ATOM 1408 CG LYS A 100 3.544 -12.897 3.426 1.00 0.00 C ATOM 1409 CD LYS A 100 4.255 -11.954 4.383 1.00 0.00 C ATOM 1410 CE LYS A 100 4.076 -10.501 3.971 1.00 0.00 C ATOM 1411 NZ LYS A 100 4.663 -9.565 4.969 1.00 0.00 N ATOM 0 H LYS A 100 3.470 -13.588 1.058 1.00 0.00 H new ATOM 0 HA LYS A 100 4.278 -16.022 2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.380 -14.666 4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.286 -14.033 2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.464 -12.429 2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.528 -13.076 3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.867 -12.097 5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.317 -12.197 4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.545 -10.338 3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.014 -10.286 3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.905 -8.998 5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.153 -10.108 5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.341 -8.934 4.496 1.00 0.00 H new ATOM 1425 N HIS A 101 1.216 -15.186 2.905 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.017 -15.662 3.522 1.00 0.00 C ATOM 1427 C HIS A 101 -1.170 -15.632 2.523 1.00 0.00 C ATOM 1428 O HIS A 101 -1.736 -14.575 2.243 1.00 0.00 O ATOM 1429 CB HIS A 101 -0.363 -14.810 4.743 1.00 0.00 C ATOM 1430 CG HIS A 101 0.515 -15.076 5.927 1.00 0.00 C ATOM 1431 ND1 HIS A 101 0.486 -16.259 6.635 1.00 0.00 N ATOM 1432 CD2 HIS A 101 1.452 -14.304 6.525 1.00 0.00 C ATOM 1433 CE1 HIS A 101 1.366 -16.202 7.619 1.00 0.00 C ATOM 1434 NE2 HIS A 101 1.966 -15.027 7.574 1.00 0.00 N ATOM 0 H HIS A 101 1.109 -14.339 2.346 1.00 0.00 H new ATOM 0 HA HIS A 101 0.139 -16.693 3.840 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.287 -13.756 4.474 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.401 -14.994 5.022 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.742 -13.306 6.232 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.561 -16.984 8.338 1.00 0.00 H new ATOM 0 HE2 HIS A 101 2.693 -14.708 8.214 1.00 0.00 H new ATOM 1443 N LYS A 102 -1.514 -16.799 1.989 1.00 0.00 N ATOM 1444 CA LYS A 102 -2.599 -16.908 1.021 1.00 0.00 C ATOM 1445 C LYS A 102 -3.947 -17.019 1.727 1.00 0.00 C ATOM 1446 O LYS A 102 -4.881 -17.629 1.208 1.00 0.00 O ATOM 1447 CB LYS A 102 -2.384 -18.124 0.117 1.00 0.00 C ATOM 1448 CG LYS A 102 -1.462 -17.851 -1.059 1.00 0.00 C ATOM 1449 CD LYS A 102 -1.798 -18.736 -2.248 1.00 0.00 C ATOM 1450 CE LYS A 102 -3.002 -18.207 -3.013 1.00 0.00 C ATOM 1451 NZ LYS A 102 -2.976 -18.621 -4.443 1.00 0.00 N ATOM 0 H LYS A 102 -1.057 -17.683 2.210 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.600 -16.005 0.410 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.970 -18.939 0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.350 -18.462 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.542 -16.804 -1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.428 -18.020 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -0.938 -18.793 -2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.001 -19.750 -1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.917 -18.571 -2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.023 -17.119 -2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.950 -18.694 -4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.455 -17.914 -5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.505 -19.544 -4.529 1.00 0.00 H new ATOM 1465 N MET A 103 -4.041 -16.423 2.911 1.00 0.00 N ATOM 1466 CA MET A 103 -5.276 -16.453 3.686 1.00 0.00 C ATOM 1467 C MET A 103 -5.963 -15.092 3.666 1.00 0.00 C ATOM 1468 O MET A 103 -7.079 -14.941 4.166 1.00 0.00 O ATOM 1469 CB MET A 103 -4.988 -16.871 5.129 1.00 0.00 C ATOM 1470 CG MET A 103 -4.969 -18.377 5.333 1.00 0.00 C ATOM 1471 SD MET A 103 -5.101 -18.845 7.070 1.00 0.00 S ATOM 1472 CE MET A 103 -3.372 -18.985 7.516 1.00 0.00 C ATOM 0 H MET A 103 -3.277 -15.913 3.355 1.00 0.00 H new ATOM 0 HA MET A 103 -5.944 -17.184 3.230 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.026 -16.459 5.433 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.742 -16.433 5.783 1.00 0.00 H new ATOM 0 HG2 MET A 103 -5.792 -18.825 4.776 1.00 0.00 H new ATOM 0 HG3 MET A 103 -4.046 -18.784 4.920 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.289 -19.269 8.565 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.896 -19.744 6.895 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.877 -18.026 7.360 1.00 0.00 H new ATOM 1482 N LEU A 104 -5.291 -14.103 3.087 1.00 0.00 N ATOM 1483 CA LEU A 104 -5.837 -12.753 3.003 1.00 0.00 C ATOM 1484 C LEU A 104 -5.818 -12.247 1.564 1.00 0.00 C ATOM 1485 O LEU A 104 -4.756 -11.968 1.009 1.00 0.00 O ATOM 1486 CB LEU A 104 -5.042 -11.803 3.900 1.00 0.00 C ATOM 1487 CG LEU A 104 -4.670 -12.340 5.283 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -3.393 -13.162 5.210 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -4.514 -11.196 6.275 1.00 0.00 C ATOM 0 H LEU A 104 -4.367 -14.211 2.669 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.872 -12.784 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.124 -11.527 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.621 -10.889 4.031 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.476 -12.988 5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.144 -13.536 6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.540 -14.003 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.579 -12.537 4.843 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.249 -11.597 7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.728 -10.523 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.453 -10.648 6.349 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.000 -12.129 0.968 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.118 -11.655 -0.406 1.00 0.00 C ATOM 1503 C GLN A 105 -8.039 -10.441 -0.486 1.00 0.00 C ATOM 1504 O GLN A 105 -9.009 -10.336 0.263 1.00 0.00 O ATOM 1505 CB GLN A 105 -7.646 -12.771 -1.309 1.00 0.00 C ATOM 1506 CG GLN A 105 -6.969 -14.112 -1.079 1.00 0.00 C ATOM 1507 CD GLN A 105 -7.605 -14.900 0.050 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -8.227 -14.331 0.947 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -7.452 -16.219 0.010 1.00 0.00 N ATOM 0 H GLN A 105 -7.889 -12.355 1.414 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.126 -11.359 -0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.718 -12.882 -1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.510 -12.479 -2.350 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.013 -14.699 -1.996 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.915 -13.949 -0.855 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.928 -16.649 -0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.858 -16.802 0.742 1.00 0.00 H new ATOM 1518 N GLY A 106 -7.726 -9.526 -1.398 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.535 -8.332 -1.559 1.00 0.00 C ATOM 1520 C GLY A 106 -7.911 -7.334 -2.514 1.00 0.00 C ATOM 1521 O GLY A 106 -7.286 -7.718 -3.502 1.00 0.00 O ATOM 0 H GLY A 106 -6.927 -9.590 -2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.522 -8.613 -1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.678 -7.860 -0.587 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.083 -6.049 -2.219 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.533 -4.993 -3.060 1.00 0.00 C ATOM 1527 C ILE A 107 -6.787 -3.958 -2.225 1.00 0.00 C ATOM 1528 O ILE A 107 -6.972 -3.874 -1.010 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.635 -4.286 -3.869 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.739 -3.782 -2.937 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -9.209 -5.227 -4.918 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.796 -2.960 -3.640 1.00 0.00 C ATOM 0 H ILE A 107 -8.598 -5.715 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.837 -5.470 -3.750 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.196 -3.428 -4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.215 -4.636 -2.456 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.289 -3.181 -2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.987 -4.712 -5.482 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.417 -5.542 -5.597 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.635 -6.102 -4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.546 -2.637 -2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.333 -2.086 -4.098 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.273 -3.564 -4.412 1.00 0.00 H new ATOM 1544 N PHE A 108 -5.944 -3.170 -2.884 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.170 -2.139 -2.203 1.00 0.00 C ATOM 1546 C PHE A 108 -4.765 -1.033 -3.173 1.00 0.00 C ATOM 1547 O PHE A 108 -4.735 -1.220 -4.389 1.00 0.00 O ATOM 1548 CB PHE A 108 -3.924 -2.749 -1.558 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.391 -3.943 -2.296 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -2.461 -3.787 -3.311 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -3.819 -5.221 -1.975 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -1.967 -4.884 -3.993 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -3.329 -6.321 -2.653 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.403 -6.153 -3.663 1.00 0.00 C ATOM 0 H PHE A 108 -5.780 -3.226 -3.889 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.797 -1.704 -1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.145 -1.989 -1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.160 -3.040 -0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.118 -2.797 -3.573 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.544 -5.359 -1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -1.242 -4.749 -4.782 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -3.670 -7.312 -2.393 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.020 -7.012 -4.194 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.447 0.149 -2.623 1.00 0.00 N ATOM 1565 CA PRO A 109 -4.038 1.309 -3.420 1.00 0.00 C ATOM 1566 C PRO A 109 -2.663 1.121 -4.053 1.00 0.00 C ATOM 1567 O PRO A 109 -1.712 0.712 -3.387 1.00 0.00 O ATOM 1568 CB PRO A 109 -4.006 2.448 -2.399 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.773 1.777 -1.090 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.461 0.443 -1.180 1.00 0.00 C ATOM 0 HA PRO A 109 -4.714 1.488 -4.256 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -3.213 3.160 -2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.943 3.005 -2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.707 1.654 -0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -4.178 2.370 -0.270 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.933 -0.321 -0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.477 0.488 -0.789 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.564 1.425 -5.343 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.305 1.292 -6.066 1.00 0.00 C ATOM 1580 C LYS A 110 -0.249 2.236 -5.499 1.00 0.00 C ATOM 1581 O LYS A 110 0.950 1.992 -5.630 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.515 1.580 -7.554 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.670 0.807 -8.166 1.00 0.00 C ATOM 1584 CD LYS A 110 -3.123 1.426 -9.478 1.00 0.00 C ATOM 1585 CE LYS A 110 -2.322 0.890 -10.654 1.00 0.00 C ATOM 1586 NZ LYS A 110 -2.667 1.585 -11.924 1.00 0.00 N ATOM 0 H LYS A 110 -3.341 1.765 -5.909 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.953 0.267 -5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.692 2.647 -7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.600 1.338 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.368 -0.226 -8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.505 0.784 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.182 1.218 -9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.015 2.509 -9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.257 1.009 -10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.508 -0.178 -10.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.393 0.989 -12.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.691 1.762 -11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.158 2.490 -11.974 1.00 0.00 H new ATOM 1600 N SER A 111 -0.704 3.313 -4.867 1.00 0.00 N ATOM 1601 CA SER A 111 0.202 4.295 -4.281 1.00 0.00 C ATOM 1602 C SER A 111 0.943 3.705 -3.086 1.00 0.00 C ATOM 1603 O SER A 111 1.894 4.298 -2.576 1.00 0.00 O ATOM 1604 CB SER A 111 -0.573 5.541 -3.850 1.00 0.00 C ATOM 1605 OG SER A 111 -1.608 5.209 -2.941 1.00 0.00 O ATOM 0 H SER A 111 -1.694 3.528 -4.747 1.00 0.00 H new ATOM 0 HA SER A 111 0.934 4.575 -5.038 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.108 6.254 -3.386 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.998 6.030 -4.727 1.00 0.00 H new ATOM 0 HG SER A 111 -2.087 6.023 -2.679 1.00 0.00 H new ATOM 1611 N PHE A 112 0.502 2.532 -2.644 1.00 0.00 N ATOM 1612 CA PHE A 112 1.122 1.860 -1.507 1.00 0.00 C ATOM 1613 C PHE A 112 1.949 0.664 -1.968 1.00 0.00 C ATOM 1614 O PHE A 112 2.779 0.145 -1.221 1.00 0.00 O ATOM 1615 CB PHE A 112 0.053 1.403 -0.513 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.445 2.504 0.380 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -1.020 3.644 -0.159 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.339 2.398 1.757 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.479 4.658 0.660 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.797 3.409 2.581 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.368 4.540 2.032 1.00 0.00 C ATOM 0 H PHE A 112 -0.283 2.027 -3.056 1.00 0.00 H new ATOM 0 HA PHE A 112 1.786 2.570 -1.014 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.789 0.984 -1.064 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.460 0.602 0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.110 3.741 -1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.107 1.515 2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.924 5.542 0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.708 3.314 3.653 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.727 5.331 2.674 1.00 0.00 H new ATOM 1631 N ILE A 113 1.716 0.231 -3.203 1.00 0.00 N ATOM 1632 CA ILE A 113 2.439 -0.903 -3.763 1.00 0.00 C ATOM 1633 C ILE A 113 3.563 -0.439 -4.683 1.00 0.00 C ATOM 1634 O ILE A 113 3.384 0.477 -5.487 1.00 0.00 O ATOM 1635 CB ILE A 113 1.500 -1.836 -4.550 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.410 -2.392 -3.632 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.291 -2.969 -5.188 1.00 0.00 C ATOM 1638 CD1 ILE A 113 0.952 -3.160 -2.446 1.00 0.00 C ATOM 0 H ILE A 113 1.032 0.649 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 113 2.864 -1.452 -2.923 1.00 0.00 H new ATOM 0 HB ILE A 113 1.022 -1.261 -5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.205 -1.568 -3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.242 -3.046 -4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.613 -3.620 -5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.034 -2.555 -5.870 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.793 -3.545 -4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.123 -3.525 -1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.543 -4.005 -2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.581 -2.504 -1.844 1.00 0.00 H new ATOM 1650 N HIS A 114 4.723 -1.077 -4.561 1.00 0.00 N ATOM 1651 CA HIS A 114 5.876 -0.731 -5.383 1.00 0.00 C ATOM 1652 C HIS A 114 6.233 -1.874 -6.328 1.00 0.00 C ATOM 1653 O HIS A 114 6.744 -2.909 -5.900 1.00 0.00 O ATOM 1654 CB HIS A 114 7.077 -0.392 -4.498 1.00 0.00 C ATOM 1655 CG HIS A 114 8.312 -0.045 -5.271 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.376 1.016 -6.149 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.535 -0.625 -5.292 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.585 1.073 -6.679 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.308 0.089 -6.175 1.00 0.00 N ATOM 0 H HIS A 114 4.889 -1.836 -3.901 1.00 0.00 H new ATOM 0 HA HIS A 114 5.616 0.143 -5.980 1.00 0.00 H new ATOM 0 HB2 HIS A 114 6.816 0.445 -3.851 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.291 -1.241 -3.849 1.00 0.00 H new ATOM 0 HD2 HIS A 114 9.845 -1.488 -4.721 1.00 0.00 H new ATOM 0 HE1 HIS A 114 9.924 1.800 -7.401 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.282 -0.109 -6.404 1.00 0.00 H new ATOM 1668 N ILE A 115 5.959 -1.679 -7.614 1.00 0.00 N ATOM 1669 CA ILE A 115 6.251 -2.694 -8.618 1.00 0.00 C ATOM 1670 C ILE A 115 7.754 -2.890 -8.781 1.00 0.00 C ATOM 1671 O ILE A 115 8.459 -2.002 -9.262 1.00 0.00 O ATOM 1672 CB ILE A 115 5.642 -2.326 -9.984 1.00 0.00 C ATOM 1673 CG1 ILE A 115 4.133 -2.105 -9.851 1.00 0.00 C ATOM 1674 CG2 ILE A 115 5.935 -3.414 -11.006 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.422 -3.218 -9.116 1.00 0.00 C ATOM 0 H ILE A 115 5.536 -0.828 -7.984 1.00 0.00 H new ATOM 0 HA ILE A 115 5.802 -3.623 -8.267 1.00 0.00 H new ATOM 0 HB ILE A 115 6.098 -1.398 -10.330 1.00 0.00 H new ATOM 0 HG12 ILE A 115 3.956 -1.165 -9.329 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.700 -2.003 -10.846 1.00 0.00 H new ATOM 0 HG21 ILE A 115 5.498 -3.139 -11.966 1.00 0.00 H new ATOM 0 HG22 ILE A 115 7.013 -3.528 -11.118 1.00 0.00 H new ATOM 0 HG23 ILE A 115 5.504 -4.356 -10.668 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.357 -2.994 -9.059 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.568 -4.157 -9.649 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.828 -3.306 -8.108 1.00 0.00 H new ATOM 1687 N LYS A 116 8.240 -4.060 -8.379 1.00 0.00 N ATOM 1688 CA LYS A 116 9.659 -4.375 -8.482 1.00 0.00 C ATOM 1689 C LYS A 116 10.106 -4.403 -9.940 1.00 0.00 C ATOM 1690 O LYS A 116 9.343 -4.790 -10.825 1.00 0.00 O ATOM 1691 CB LYS A 116 9.952 -5.725 -7.822 1.00 0.00 C ATOM 1692 CG LYS A 116 9.518 -5.797 -6.368 1.00 0.00 C ATOM 1693 CD LYS A 116 10.624 -5.338 -5.433 1.00 0.00 C ATOM 1694 CE LYS A 116 11.655 -6.434 -5.208 1.00 0.00 C ATOM 1695 NZ LYS A 116 12.896 -5.907 -4.577 1.00 0.00 N ATOM 0 H LYS A 116 7.671 -4.806 -7.979 1.00 0.00 H new ATOM 0 HA LYS A 116 10.217 -3.595 -7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.447 -6.512 -8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.022 -5.926 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.634 -5.176 -6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.234 -6.820 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 116 11.113 -4.458 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.193 -5.040 -4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.227 -7.211 -4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.902 -6.901 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.573 -6.684 -4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.319 -5.184 -5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.664 -5.484 -3.656 1.00 0.00 H new