USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=9 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 94 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 110 LYS NZ :NH3+ -164:sc= 0.731 (180deg=0.387) USER MOD Set 2.1: A 101 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-5.1!) USER MOD Set 2.2: A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -5.21! C(o=-5.2!,f=-7.1!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.34 K(o=-2.3,f=-1.8!) USER MOD Single : A 69 GLN : amide:sc= -5.72! C(o=-5.7!,f=-5.6!) 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 : amide:sc=-0.00879 K(o=-0.0088,f=-1.3) USER MOD Single : A 89 THR OG1 : rot -122:sc= 0.214 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.738 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.19 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 2.902 -9.729 -11.731 1.00 0.00 N ATOM 782 CA ARG A 60 3.737 -8.616 -11.294 1.00 0.00 C ATOM 783 C ARG A 60 4.095 -8.753 -9.817 1.00 0.00 C ATOM 784 O ARG A 60 3.250 -9.103 -8.992 1.00 0.00 O ATOM 785 CB ARG A 60 3.019 -7.287 -11.535 1.00 0.00 C ATOM 786 CG ARG A 60 3.963 -6.119 -11.772 1.00 0.00 C ATOM 787 CD ARG A 60 3.205 -4.863 -12.173 1.00 0.00 C ATOM 788 NE ARG A 60 2.752 -4.917 -13.560 1.00 0.00 N ATOM 789 CZ ARG A 60 1.992 -3.983 -14.122 1.00 0.00 C ATOM 790 NH1 ARG A 60 1.603 -2.929 -13.418 1.00 0.00 N ATOM 791 NH2 ARG A 60 1.620 -4.103 -15.390 1.00 0.00 N ATOM 0 HA ARG A 60 4.658 -8.634 -11.877 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.360 -7.391 -12.397 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.387 -7.064 -10.675 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.538 -5.925 -10.867 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.677 -6.379 -12.553 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.345 -4.733 -11.516 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.847 -3.993 -12.035 1.00 0.00 H new ATOM 0 HE ARG A 60 3.034 -5.715 -14.129 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.887 -2.834 -12.443 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.020 -2.213 -13.851 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.917 -4.913 -15.934 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.037 -3.386 -15.820 1.00 0.00 H new ATOM 805 N HIS A 61 5.353 -8.475 -9.491 1.00 0.00 N ATOM 806 CA HIS A 61 5.824 -8.567 -8.113 1.00 0.00 C ATOM 807 C HIS A 61 5.900 -7.185 -7.472 1.00 0.00 C ATOM 808 O HIS A 61 6.651 -6.321 -7.921 1.00 0.00 O ATOM 809 CB HIS A 61 7.196 -9.240 -8.064 1.00 0.00 C ATOM 810 CG HIS A 61 7.402 -10.093 -6.850 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.454 -9.917 -5.977 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.681 -11.131 -6.365 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.374 -10.811 -5.008 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.306 -11.559 -5.219 1.00 0.00 N ATOM 0 H HIS A 61 6.065 -8.184 -10.161 1.00 0.00 H new ATOM 0 HA HIS A 61 5.111 -9.171 -7.551 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.322 -9.855 -8.955 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.969 -8.472 -8.094 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.782 -11.545 -6.798 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.064 -10.913 -4.184 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.996 -12.329 -4.627 1.00 0.00 H new ATOM 823 N GLY A 62 5.114 -6.983 -6.418 1.00 0.00 N ATOM 824 CA GLY A 62 5.107 -5.704 -5.732 1.00 0.00 C ATOM 825 C GLY A 62 5.536 -5.820 -4.283 1.00 0.00 C ATOM 826 O GLY A 62 5.661 -6.923 -3.752 1.00 0.00 O ATOM 0 H GLY A 62 4.482 -7.682 -6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.773 -5.014 -6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.105 -5.276 -5.778 1.00 0.00 H new ATOM 830 N VAL A 63 5.764 -4.678 -3.642 1.00 0.00 N ATOM 831 CA VAL A 63 6.183 -4.656 -2.245 1.00 0.00 C ATOM 832 C VAL A 63 5.570 -3.471 -1.506 1.00 0.00 C ATOM 833 O VAL A 63 5.642 -2.334 -1.970 1.00 0.00 O ATOM 834 CB VAL A 63 7.716 -4.588 -2.120 1.00 0.00 C ATOM 835 CG1 VAL A 63 8.117 -4.058 -0.752 1.00 0.00 C ATOM 836 CG2 VAL A 63 8.332 -5.956 -2.373 1.00 0.00 C ATOM 0 H VAL A 63 5.666 -3.756 -4.067 1.00 0.00 H new ATOM 0 HA VAL A 63 5.830 -5.583 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 63 8.095 -3.899 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.204 -4.017 -0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.707 -3.058 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.728 -4.719 0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.416 -5.890 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.949 -6.668 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.073 -6.291 -3.377 1.00 0.00 H new ATOM 846 N ALA A 64 4.968 -3.747 -0.354 1.00 0.00 N ATOM 847 CA ALA A 64 4.345 -2.703 0.450 1.00 0.00 C ATOM 848 C ALA A 64 5.392 -1.765 1.040 1.00 0.00 C ATOM 849 O ALA A 64 6.426 -2.210 1.541 1.00 0.00 O ATOM 850 CB ALA A 64 3.505 -3.322 1.558 1.00 0.00 C ATOM 0 H ALA A 64 4.899 -4.684 0.043 1.00 0.00 H new ATOM 0 HA ALA A 64 3.696 -2.117 -0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.045 -2.531 2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.726 -3.946 1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.141 -3.933 2.199 1.00 0.00 H new ATOM 856 N ILE A 65 5.120 -0.466 0.976 1.00 0.00 N ATOM 857 CA ILE A 65 6.040 0.534 1.504 1.00 0.00 C ATOM 858 C ILE A 65 5.394 1.334 2.630 1.00 0.00 C ATOM 859 O ILE A 65 6.077 1.812 3.536 1.00 0.00 O ATOM 860 CB ILE A 65 6.509 1.503 0.403 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.306 2.177 -0.260 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.347 0.766 -0.631 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.634 2.831 -1.584 1.00 0.00 C ATOM 0 H ILE A 65 4.270 -0.081 0.564 1.00 0.00 H new ATOM 0 HA ILE A 65 6.904 -0.005 1.894 1.00 0.00 H new ATOM 0 HB ILE A 65 7.128 2.275 0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.523 1.434 -0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.902 2.929 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.671 1.465 -1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.221 0.329 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.751 -0.025 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.735 3.289 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.394 3.597 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.010 2.079 -2.278 1.00 0.00 H new ATOM 875 N TYR A 66 4.075 1.475 2.567 1.00 0.00 N ATOM 876 CA TYR A 66 3.336 2.218 3.581 1.00 0.00 C ATOM 877 C TYR A 66 2.350 1.312 4.311 1.00 0.00 C ATOM 878 O TYR A 66 1.638 0.524 3.690 1.00 0.00 O ATOM 879 CB TYR A 66 2.591 3.391 2.941 1.00 0.00 C ATOM 880 CG TYR A 66 3.501 4.497 2.459 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.259 5.241 3.356 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.605 4.798 1.107 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.091 6.253 2.919 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.437 5.808 0.661 1.00 0.00 C ATOM 885 CZ TYR A 66 5.177 6.533 1.571 1.00 0.00 C ATOM 886 OH TYR A 66 6.007 7.539 1.133 1.00 0.00 O ATOM 0 H TYR A 66 3.495 1.084 1.824 1.00 0.00 H new ATOM 0 HA TYR A 66 4.052 2.603 4.307 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.005 3.022 2.099 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.887 3.801 3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.196 5.024 4.412 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.026 4.233 0.392 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.672 6.823 3.629 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.507 6.028 -0.394 1.00 0.00 H new ATOM 0 HH TYR A 66 5.952 7.606 0.157 1.00 0.00 H new ATOM 896 N ASN A 67 2.315 1.430 5.634 1.00 0.00 N ATOM 897 CA ASN A 67 1.417 0.622 6.451 1.00 0.00 C ATOM 898 C ASN A 67 -0.040 0.968 6.162 1.00 0.00 C ATOM 899 O ASN A 67 -0.563 1.966 6.658 1.00 0.00 O ATOM 900 CB ASN A 67 1.718 0.831 7.936 1.00 0.00 C ATOM 901 CG ASN A 67 1.562 2.279 8.359 1.00 0.00 C ATOM 902 OD1 ASN A 67 0.502 2.688 8.832 1.00 0.00 O ATOM 903 ND2 ASN A 67 2.622 3.062 8.191 1.00 0.00 N ATOM 0 H ASN A 67 2.898 2.078 6.164 1.00 0.00 H new ATOM 0 HA ASN A 67 1.580 -0.426 6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.050 0.208 8.531 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.735 0.501 8.148 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.577 4.045 8.458 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.481 2.680 7.795 1.00 0.00 H new ATOM 910 N PHE A 68 -0.691 0.136 5.356 1.00 0.00 N ATOM 911 CA PHE A 68 -2.089 0.353 5.000 1.00 0.00 C ATOM 912 C PHE A 68 -3.017 -0.361 5.978 1.00 0.00 C ATOM 913 O PHE A 68 -2.616 -1.315 6.645 1.00 0.00 O ATOM 914 CB PHE A 68 -2.357 -0.137 3.575 1.00 0.00 C ATOM 915 CG PHE A 68 -3.802 -0.054 3.174 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.672 -1.097 3.449 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.290 1.067 2.523 1.00 0.00 C ATOM 918 CE1 PHE A 68 -6.002 -1.023 3.082 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.620 1.147 2.154 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.476 0.100 2.432 1.00 0.00 C ATOM 0 H PHE A 68 -0.273 -0.695 4.937 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.289 1.423 5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.761 0.452 2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.022 -1.171 3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.306 -1.978 3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.624 1.888 2.301 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.670 -1.842 3.303 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.989 2.027 1.649 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.515 0.159 2.142 1.00 0.00 H new ATOM 930 N GLN A 69 -4.258 0.108 6.058 1.00 0.00 N ATOM 931 CA GLN A 69 -5.242 -0.485 6.955 1.00 0.00 C ATOM 932 C GLN A 69 -6.536 -0.801 6.212 1.00 0.00 C ATOM 933 O GLN A 69 -6.971 -0.038 5.350 1.00 0.00 O ATOM 934 CB GLN A 69 -5.529 0.458 8.125 1.00 0.00 C ATOM 935 CG GLN A 69 -6.456 1.608 7.766 1.00 0.00 C ATOM 936 CD GLN A 69 -7.882 1.155 7.521 1.00 0.00 C ATOM 937 OE1 GLN A 69 -8.438 0.373 8.292 1.00 0.00 O ATOM 938 NE2 GLN A 69 -8.482 1.645 6.443 1.00 0.00 N ATOM 0 H GLN A 69 -4.606 0.897 5.513 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.830 -1.417 7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.971 -0.113 8.941 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.587 0.863 8.494 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.446 2.343 8.571 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.079 2.108 6.874 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.983 2.291 5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.442 1.376 6.227 1.00 0.00 H new ATOM 947 N GLY A 70 -7.147 -1.932 6.551 1.00 0.00 N ATOM 948 CA GLY A 70 -8.384 -2.329 5.906 1.00 0.00 C ATOM 949 C GLY A 70 -9.456 -2.725 6.902 1.00 0.00 C ATOM 950 O GLY A 70 -9.167 -2.961 8.075 1.00 0.00 O ATOM 0 H GLY A 70 -6.807 -2.580 7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.750 -1.507 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.188 -3.166 5.236 1.00 0.00 H new ATOM 954 N SER A 71 -10.699 -2.797 6.435 1.00 0.00 N ATOM 955 CA SER A 71 -11.819 -3.161 7.294 1.00 0.00 C ATOM 956 C SER A 71 -12.423 -4.494 6.863 1.00 0.00 C ATOM 957 O SER A 71 -12.929 -5.255 7.687 1.00 0.00 O ATOM 958 CB SER A 71 -12.889 -2.069 7.264 1.00 0.00 C ATOM 959 OG SER A 71 -14.090 -2.514 7.871 1.00 0.00 O ATOM 0 H SER A 71 -10.955 -2.608 5.466 1.00 0.00 H new ATOM 0 HA SER A 71 -11.445 -3.264 8.313 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.523 -1.183 7.782 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.086 -1.777 6.233 1.00 0.00 H new ATOM 0 HG SER A 71 -14.757 -1.797 7.840 1.00 0.00 H new ATOM 965 N GLY A 72 -12.366 -4.770 5.563 1.00 0.00 N ATOM 966 CA GLY A 72 -12.911 -6.010 5.044 1.00 0.00 C ATOM 967 C GLY A 72 -13.037 -6.000 3.533 1.00 0.00 C ATOM 968 O GLY A 72 -13.263 -4.951 2.930 1.00 0.00 O ATOM 0 H GLY A 72 -11.952 -4.157 4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.272 -6.839 5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.892 -6.186 5.486 1.00 0.00 H new ATOM 972 N ALA A 73 -12.890 -7.170 2.921 1.00 0.00 N ATOM 973 CA ALA A 73 -12.989 -7.292 1.471 1.00 0.00 C ATOM 974 C ALA A 73 -14.101 -6.404 0.921 1.00 0.00 C ATOM 975 O ALA A 73 -15.082 -6.104 1.601 1.00 0.00 O ATOM 976 CB ALA A 73 -13.226 -8.742 1.078 1.00 0.00 C ATOM 0 H ALA A 73 -12.702 -8.047 3.406 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.046 -6.960 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.298 -8.818 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.396 -9.355 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.154 -9.094 1.528 1.00 0.00 H new ATOM 982 N PRO A 74 -13.946 -5.974 -0.340 1.00 0.00 N ATOM 983 CA PRO A 74 -12.782 -6.325 -1.159 1.00 0.00 C ATOM 984 C PRO A 74 -11.504 -5.653 -0.668 1.00 0.00 C ATOM 985 O PRO A 74 -10.422 -5.892 -1.204 1.00 0.00 O ATOM 986 CB PRO A 74 -13.158 -5.808 -2.550 1.00 0.00 C ATOM 987 CG PRO A 74 -14.132 -4.710 -2.295 1.00 0.00 C ATOM 988 CD PRO A 74 -14.895 -5.111 -1.063 1.00 0.00 C ATOM 0 HA PRO A 74 -12.570 -7.394 -1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.282 -5.444 -3.087 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.600 -6.596 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.619 -3.760 -2.144 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.803 -4.579 -3.144 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.183 -4.244 -0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.812 -5.644 -1.314 1.00 0.00 H new ATOM 996 N GLN A 75 -11.637 -4.812 0.353 1.00 0.00 N ATOM 997 CA GLN A 75 -10.492 -4.106 0.915 1.00 0.00 C ATOM 998 C GLN A 75 -9.605 -5.055 1.713 1.00 0.00 C ATOM 999 O GLN A 75 -10.081 -5.776 2.591 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.963 -2.957 1.808 1.00 0.00 C ATOM 1001 CG GLN A 75 -11.594 -1.807 1.038 1.00 0.00 C ATOM 1002 CD GLN A 75 -12.591 -1.026 1.870 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -12.233 -0.414 2.877 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -13.852 -1.042 1.453 1.00 0.00 N ATOM 0 H GLN A 75 -12.526 -4.603 0.807 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.907 -3.700 0.090 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.685 -3.340 2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.114 -2.579 2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.810 -1.134 0.691 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.094 -2.199 0.152 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.105 -1.562 0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.568 -0.534 1.973 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.313 -5.051 1.403 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.358 -5.913 2.091 1.00 0.00 C ATOM 1015 C LEU A 76 -6.264 -5.087 2.760 1.00 0.00 C ATOM 1016 O LEU A 76 -5.802 -4.088 2.209 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.736 -6.906 1.108 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.499 -7.656 1.605 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -5.901 -8.951 2.293 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.547 -7.936 0.451 1.00 0.00 C ATOM 0 H LEU A 76 -7.903 -4.460 0.680 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.894 -6.465 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.495 -7.639 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.469 -6.368 0.199 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.983 -7.028 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.008 -9.471 2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.544 -8.726 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.440 -9.585 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.672 -8.470 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.053 -8.545 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.233 -6.994 0.002 1.00 0.00 H new ATOM 1032 N SER A 77 -5.851 -5.514 3.949 1.00 0.00 N ATOM 1033 CA SER A 77 -4.811 -4.813 4.694 1.00 0.00 C ATOM 1034 C SER A 77 -3.428 -5.158 4.151 1.00 0.00 C ATOM 1035 O SER A 77 -3.260 -6.138 3.423 1.00 0.00 O ATOM 1036 CB SER A 77 -4.892 -5.168 6.180 1.00 0.00 C ATOM 1037 OG SER A 77 -4.512 -6.515 6.404 1.00 0.00 O ATOM 0 H SER A 77 -6.220 -6.342 4.417 1.00 0.00 H new ATOM 0 HA SER A 77 -4.972 -3.742 4.575 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.244 -4.504 6.752 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.908 -5.009 6.540 1.00 0.00 H new ATOM 0 HG SER A 77 -4.571 -6.717 7.361 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.439 -4.347 4.511 1.00 0.00 N ATOM 1044 CA LEU A 78 -1.069 -4.565 4.060 1.00 0.00 C ATOM 1045 C LEU A 78 -0.069 -4.091 5.110 1.00 0.00 C ATOM 1046 O LEU A 78 -0.378 -3.226 5.929 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.823 -3.835 2.739 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.249 -4.578 1.472 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -1.099 -3.683 0.252 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.436 -5.854 1.303 1.00 0.00 C ATOM 0 H LEU A 78 -2.560 -3.533 5.114 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.929 -5.635 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.349 -2.881 2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.241 -3.610 2.664 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.300 -4.851 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.407 -4.229 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.725 -2.799 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.057 -3.379 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.753 -6.370 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.622 -5.604 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.595 -6.503 2.164 1.00 0.00 H new ATOM 1062 N GLN A 79 1.131 -4.663 5.078 1.00 0.00 N ATOM 1063 CA GLN A 79 2.176 -4.297 6.026 1.00 0.00 C ATOM 1064 C GLN A 79 3.477 -3.967 5.302 1.00 0.00 C ATOM 1065 O GLN A 79 3.913 -4.708 4.420 1.00 0.00 O ATOM 1066 CB GLN A 79 2.408 -5.432 7.025 1.00 0.00 C ATOM 1067 CG GLN A 79 1.415 -5.444 8.175 1.00 0.00 C ATOM 1068 CD GLN A 79 1.262 -6.816 8.801 1.00 0.00 C ATOM 1069 OE1 GLN A 79 1.776 -7.075 9.889 1.00 0.00 O ATOM 1070 NE2 GLN A 79 0.553 -7.705 8.114 1.00 0.00 N ATOM 0 H GLN A 79 1.403 -5.381 4.406 1.00 0.00 H new ATOM 0 HA GLN A 79 1.847 -3.409 6.566 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.353 -6.385 6.499 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.417 -5.349 7.428 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.739 -4.735 8.937 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.444 -5.103 7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.145 -7.447 7.216 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.417 -8.645 8.485 1.00 0.00 H new ATOM 1079 N ILE A 80 4.092 -2.851 5.678 1.00 0.00 N ATOM 1080 CA ILE A 80 5.343 -2.424 5.065 1.00 0.00 C ATOM 1081 C ILE A 80 6.327 -3.585 4.958 1.00 0.00 C ATOM 1082 O ILE A 80 6.624 -4.253 5.947 1.00 0.00 O ATOM 1083 CB ILE A 80 6.000 -1.281 5.861 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.072 -0.065 5.908 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.340 -0.909 5.246 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.593 1.059 6.776 1.00 0.00 C ATOM 0 H ILE A 80 3.744 -2.226 6.405 1.00 0.00 H new ATOM 0 HA ILE A 80 5.098 -2.065 4.066 1.00 0.00 H new ATOM 0 HB ILE A 80 6.174 -1.621 6.882 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.924 0.308 4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.096 -0.377 6.279 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.792 -0.100 5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.000 -1.776 5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.190 -0.584 4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.885 1.887 6.762 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.715 0.702 7.799 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.555 1.398 6.393 1.00 0.00 H new ATOM 1098 N GLY A 81 6.831 -3.817 3.749 1.00 0.00 N ATOM 1099 CA GLY A 81 7.778 -4.895 3.535 1.00 0.00 C ATOM 1100 C GLY A 81 7.095 -6.213 3.227 1.00 0.00 C ATOM 1101 O GLY A 81 7.640 -7.282 3.505 1.00 0.00 O ATOM 0 H GLY A 81 6.600 -3.277 2.915 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.443 -4.633 2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.400 -5.010 4.423 1.00 0.00 H new ATOM 1105 N ASP A 82 5.899 -6.138 2.654 1.00 0.00 N ATOM 1106 CA ASP A 82 5.140 -7.335 2.309 1.00 0.00 C ATOM 1107 C ASP A 82 5.076 -7.520 0.796 1.00 0.00 C ATOM 1108 O ASP A 82 4.943 -6.552 0.046 1.00 0.00 O ATOM 1109 CB ASP A 82 3.726 -7.252 2.885 1.00 0.00 C ATOM 1110 CG ASP A 82 2.834 -6.313 2.097 1.00 0.00 C ATOM 1111 OD1 ASP A 82 2.658 -6.542 0.883 1.00 0.00 O ATOM 1112 OD2 ASP A 82 2.313 -5.348 2.695 1.00 0.00 O ATOM 0 H ASP A 82 5.434 -5.261 2.419 1.00 0.00 H new ATOM 0 HA ASP A 82 5.650 -8.196 2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.282 -8.247 2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.778 -6.916 3.921 1.00 0.00 H new ATOM 1117 N VAL A 83 5.174 -8.769 0.353 1.00 0.00 N ATOM 1118 CA VAL A 83 5.127 -9.082 -1.071 1.00 0.00 C ATOM 1119 C VAL A 83 3.805 -9.742 -1.445 1.00 0.00 C ATOM 1120 O VAL A 83 3.543 -10.886 -1.074 1.00 0.00 O ATOM 1121 CB VAL A 83 6.286 -10.010 -1.480 1.00 0.00 C ATOM 1122 CG1 VAL A 83 6.135 -10.446 -2.929 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.624 -9.320 -1.260 1.00 0.00 C ATOM 0 H VAL A 83 5.286 -9.581 0.960 1.00 0.00 H new ATOM 0 HA VAL A 83 5.222 -8.137 -1.606 1.00 0.00 H new ATOM 0 HB VAL A 83 6.254 -10.900 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.963 -11.101 -3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.194 -10.981 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.140 -9.568 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.432 -9.990 -1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.668 -8.412 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.732 -9.063 -0.206 1.00 0.00 H new ATOM 1133 N VAL A 84 2.975 -9.014 -2.184 1.00 0.00 N ATOM 1134 CA VAL A 84 1.679 -9.529 -2.611 1.00 0.00 C ATOM 1135 C VAL A 84 1.688 -9.876 -4.096 1.00 0.00 C ATOM 1136 O VAL A 84 2.317 -9.188 -4.901 1.00 0.00 O ATOM 1137 CB VAL A 84 0.554 -8.514 -2.340 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.499 -8.161 -0.861 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.747 -7.266 -3.187 1.00 0.00 C ATOM 0 H VAL A 84 3.177 -8.065 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 84 1.491 -10.432 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.397 -8.969 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.302 -7.442 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.310 -9.063 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.450 -7.725 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.057 -6.559 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.705 -6.806 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.732 -7.537 -4.243 1.00 0.00 H new ATOM 1149 N ARG A 85 0.987 -10.947 -4.452 1.00 0.00 N ATOM 1150 CA ARG A 85 0.914 -11.387 -5.840 1.00 0.00 C ATOM 1151 C ARG A 85 -0.161 -10.614 -6.599 1.00 0.00 C ATOM 1152 O ARG A 85 -1.349 -10.719 -6.291 1.00 0.00 O ATOM 1153 CB ARG A 85 0.624 -12.887 -5.908 1.00 0.00 C ATOM 1154 CG ARG A 85 1.873 -13.752 -5.866 1.00 0.00 C ATOM 1155 CD ARG A 85 2.552 -13.816 -7.225 1.00 0.00 C ATOM 1156 NE ARG A 85 1.979 -14.856 -8.075 1.00 0.00 N ATOM 1157 CZ ARG A 85 0.992 -14.640 -8.938 1.00 0.00 C ATOM 1158 NH1 ARG A 85 0.472 -13.427 -9.064 1.00 0.00 N ATOM 1159 NH2 ARG A 85 0.525 -15.638 -9.676 1.00 0.00 N ATOM 0 H ARG A 85 0.461 -11.527 -3.798 1.00 0.00 H new ATOM 0 HA ARG A 85 1.878 -11.190 -6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.025 -13.161 -5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.075 -13.101 -6.825 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.569 -13.352 -5.129 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.609 -14.759 -5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.460 -12.850 -7.722 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.617 -14.005 -7.090 1.00 0.00 H new ATOM 0 HE ARG A 85 2.357 -15.800 -8.002 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.830 -12.658 -8.498 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.286 -13.263 -9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.923 -16.572 -9.581 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.233 -15.471 -10.338 1.00 0.00 H new ATOM 1173 N ILE A 86 0.264 -9.839 -7.591 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.663 -9.050 -8.394 1.00 0.00 C ATOM 1175 C ILE A 86 -1.238 -9.876 -9.539 1.00 0.00 C ATOM 1176 O ILE A 86 -0.509 -10.318 -10.426 1.00 0.00 O ATOM 1177 CB ILE A 86 0.020 -7.797 -8.972 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.545 -6.908 -7.843 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -0.950 -7.025 -9.854 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.544 -5.870 -8.305 1.00 0.00 C ATOM 0 H ILE A 86 1.243 -9.740 -7.858 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.471 -8.740 -7.731 1.00 0.00 H new ATOM 0 HB ILE A 86 0.866 -8.112 -9.583 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.296 -6.404 -7.367 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.011 -7.536 -7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.453 -6.142 -10.255 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.280 -7.661 -10.676 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.813 -6.718 -9.264 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.873 -5.277 -7.452 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.404 -6.367 -8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.076 -5.217 -9.042 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.552 -10.079 -9.514 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.226 -10.851 -10.551 1.00 0.00 C ATOM 1194 C GLN A 87 -3.974 -9.933 -11.513 1.00 0.00 C ATOM 1195 O GLN A 87 -4.049 -10.204 -12.711 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.197 -11.851 -9.922 1.00 0.00 C ATOM 1197 CG GLN A 87 -3.584 -12.669 -8.797 1.00 0.00 C ATOM 1198 CD GLN A 87 -2.874 -13.911 -9.299 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -2.579 -14.034 -10.488 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -2.595 -14.841 -8.393 1.00 0.00 N ATOM 0 H GLN A 87 -3.170 -9.719 -8.787 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.468 -11.397 -11.113 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.063 -11.312 -9.538 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.561 -12.527 -10.696 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.877 -12.049 -8.245 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.367 -12.960 -8.097 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.858 -14.698 -7.418 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.118 -15.698 -8.672 1.00 0.00 H new ATOM 1209 N GLU A 88 -4.525 -8.848 -10.979 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.269 -7.892 -11.791 1.00 0.00 C ATOM 1211 C GLU A 88 -5.024 -6.464 -11.311 1.00 0.00 C ATOM 1212 O GLU A 88 -4.422 -6.244 -10.260 1.00 0.00 O ATOM 1213 CB GLU A 88 -6.765 -8.207 -11.748 1.00 0.00 C ATOM 1214 CG GLU A 88 -7.589 -7.386 -12.727 1.00 0.00 C ATOM 1215 CD GLU A 88 -8.853 -8.099 -13.167 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -9.531 -8.690 -12.301 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -9.163 -8.066 -14.376 1.00 0.00 O ATOM 0 H GLU A 88 -4.471 -8.609 -9.989 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.917 -7.977 -12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.911 -9.266 -11.962 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.136 -8.032 -10.738 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.855 -6.435 -12.265 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.982 -7.156 -13.603 1.00 0.00 H new ATOM 1224 N THR A 89 -5.496 -5.495 -12.089 1.00 0.00 N ATOM 1225 CA THR A 89 -5.328 -4.089 -11.746 1.00 0.00 C ATOM 1226 C THR A 89 -6.528 -3.265 -12.200 1.00 0.00 C ATOM 1227 O THR A 89 -6.893 -3.279 -13.376 1.00 0.00 O ATOM 1228 CB THR A 89 -4.050 -3.505 -12.377 1.00 0.00 C ATOM 1229 OG1 THR A 89 -2.901 -4.212 -11.898 1.00 0.00 O ATOM 1230 CG2 THR A 89 -3.914 -2.025 -12.052 1.00 0.00 C ATOM 0 H THR A 89 -5.998 -5.659 -12.962 1.00 0.00 H new ATOM 0 HA THR A 89 -5.244 -4.037 -10.660 1.00 0.00 H new ATOM 0 HB THR A 89 -4.120 -3.618 -13.459 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.286 -3.583 -11.467 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.004 -1.634 -12.508 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.777 -1.486 -12.443 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.864 -1.893 -10.971 1.00 0.00 H new ATOM 1238 N CYS A 90 -7.136 -2.547 -11.262 1.00 0.00 N ATOM 1239 CA CYS A 90 -8.296 -1.716 -11.567 1.00 0.00 C ATOM 1240 C CYS A 90 -8.019 -0.254 -11.235 1.00 0.00 C ATOM 1241 O CYS A 90 -7.547 0.068 -10.145 1.00 0.00 O ATOM 1242 CB CYS A 90 -9.518 -2.206 -10.789 1.00 0.00 C ATOM 1243 SG CYS A 90 -11.090 -1.545 -11.393 1.00 0.00 S ATOM 0 H CYS A 90 -6.845 -2.523 -10.285 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.499 -1.795 -12.635 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.552 -3.295 -10.834 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.401 -1.934 -9.740 1.00 0.00 H new ATOM 0 HG CYS A 90 -12.064 -2.018 -10.674 1.00 0.00 H new ATOM 1249 N GLY A 91 -8.313 0.629 -12.184 1.00 0.00 N ATOM 1250 CA GLY A 91 -8.088 2.047 -11.974 1.00 0.00 C ATOM 1251 C GLY A 91 -6.856 2.320 -11.133 1.00 0.00 C ATOM 1252 O GLY A 91 -5.750 1.918 -11.492 1.00 0.00 O ATOM 0 H GLY A 91 -8.703 0.388 -13.095 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.982 2.542 -12.939 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.961 2.482 -11.487 1.00 0.00 H new ATOM 1256 N ASP A 92 -7.048 3.006 -10.011 1.00 0.00 N ATOM 1257 CA ASP A 92 -5.944 3.333 -9.117 1.00 0.00 C ATOM 1258 C ASP A 92 -5.863 2.334 -7.967 1.00 0.00 C ATOM 1259 O ASP A 92 -5.652 2.715 -6.815 1.00 0.00 O ATOM 1260 CB ASP A 92 -6.108 4.751 -8.567 1.00 0.00 C ATOM 1261 CG ASP A 92 -6.183 5.793 -9.666 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -5.277 5.815 -10.525 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -7.148 6.585 -9.666 1.00 0.00 O ATOM 0 H ASP A 92 -7.958 3.346 -9.700 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.017 3.278 -9.688 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.013 4.800 -7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.271 4.981 -7.908 1.00 0.00 H new ATOM 1268 N TRP A 93 -6.032 1.057 -8.286 1.00 0.00 N ATOM 1269 CA TRP A 93 -5.979 0.003 -7.279 1.00 0.00 C ATOM 1270 C TRP A 93 -5.504 -1.311 -7.890 1.00 0.00 C ATOM 1271 O TRP A 93 -5.819 -1.622 -9.038 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.354 -0.187 -6.637 1.00 0.00 C ATOM 1273 CG TRP A 93 -7.753 0.946 -5.741 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -8.246 2.160 -6.124 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -7.690 0.970 -4.310 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.494 2.938 -5.019 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.161 2.231 -3.894 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.282 0.050 -3.341 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.235 2.591 -2.551 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -7.355 0.409 -2.009 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -7.829 1.670 -1.623 1.00 0.00 C ATOM 0 H TRP A 93 -6.207 0.725 -9.235 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.266 0.304 -6.512 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.101 -0.300 -7.422 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.354 -1.113 -6.062 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.416 2.464 -7.146 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.866 3.888 -5.034 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.916 -0.925 -3.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.600 3.563 -2.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -7.041 -0.294 -1.252 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -7.875 1.920 -0.573 1.00 0.00 H new ATOM 1292 N TYR A 94 -4.744 -2.077 -7.116 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.224 -3.357 -7.582 1.00 0.00 C ATOM 1294 C TYR A 94 -5.120 -4.506 -7.132 1.00 0.00 C ATOM 1295 O TYR A 94 -6.074 -4.306 -6.381 1.00 0.00 O ATOM 1296 CB TYR A 94 -2.801 -3.572 -7.063 1.00 0.00 C ATOM 1297 CG TYR A 94 -1.747 -2.838 -7.862 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -1.664 -2.986 -9.240 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -0.836 -1.995 -7.237 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -0.702 -2.318 -9.974 1.00 0.00 C ATOM 1301 CE2 TYR A 94 0.128 -1.322 -7.962 1.00 0.00 C ATOM 1302 CZ TYR A 94 0.191 -1.487 -9.330 1.00 0.00 C ATOM 1303 OH TYR A 94 1.149 -0.819 -10.058 1.00 0.00 O ATOM 0 H TYR A 94 -4.474 -1.834 -6.163 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.208 -3.339 -8.672 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.749 -3.247 -6.024 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.576 -4.639 -7.075 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.363 -3.634 -9.747 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.883 -1.864 -6.166 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.650 -2.446 -11.045 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.828 -0.670 -7.461 1.00 0.00 H new ATOM 0 HH TYR A 94 1.697 -0.275 -9.455 1.00 0.00 H new ATOM 1313 N ARG A 95 -4.806 -5.711 -7.598 1.00 0.00 N ATOM 1314 CA ARG A 95 -5.582 -6.893 -7.246 1.00 0.00 C ATOM 1315 C ARG A 95 -4.665 -8.064 -6.905 1.00 0.00 C ATOM 1316 O ARG A 95 -3.846 -8.482 -7.722 1.00 0.00 O ATOM 1317 CB ARG A 95 -6.514 -7.279 -8.396 1.00 0.00 C ATOM 1318 CG ARG A 95 -7.387 -8.487 -8.094 1.00 0.00 C ATOM 1319 CD ARG A 95 -8.725 -8.073 -7.502 1.00 0.00 C ATOM 1320 NE ARG A 95 -9.513 -9.225 -7.073 1.00 0.00 N ATOM 1321 CZ ARG A 95 -10.303 -9.919 -7.885 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -10.408 -9.580 -9.162 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -10.988 -10.955 -7.419 1.00 0.00 N ATOM 0 H ARG A 95 -4.019 -5.894 -8.221 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.181 -6.655 -6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.154 -6.429 -8.635 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -5.916 -7.486 -9.283 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.553 -9.055 -9.009 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -6.869 -9.147 -7.398 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.556 -7.412 -6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.288 -7.504 -8.241 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.454 -9.513 -6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.882 -8.785 -9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.015 -10.115 -9.783 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -10.908 -11.219 -6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -11.594 -11.488 -8.043 1.00 0.00 H new ATOM 1337 N GLY A 96 -4.810 -8.589 -5.692 1.00 0.00 N ATOM 1338 CA GLY A 96 -3.988 -9.706 -5.264 1.00 0.00 C ATOM 1339 C GLY A 96 -4.213 -10.068 -3.809 1.00 0.00 C ATOM 1340 O GLY A 96 -5.263 -9.765 -3.243 1.00 0.00 O ATOM 0 H GLY A 96 -5.482 -8.261 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.205 -10.573 -5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.937 -9.459 -5.415 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.226 -10.719 -3.204 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.323 -11.126 -1.807 1.00 0.00 C ATOM 1346 C TYR A 97 -1.938 -11.280 -1.187 1.00 0.00 C ATOM 1347 O TYR A 97 -0.920 -11.132 -1.866 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.095 -12.441 -1.691 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.505 -13.565 -2.512 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.224 -14.041 -2.255 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -4.226 -14.151 -3.545 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.680 -15.067 -3.003 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.691 -15.179 -4.297 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.417 -15.633 -4.022 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.880 -16.655 -4.770 1.00 0.00 O ATOM 0 H TYR A 97 -2.350 -10.976 -3.659 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.859 -10.348 -1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.125 -12.744 -0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.126 -12.276 -2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.644 -13.601 -1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.222 -13.797 -3.764 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.683 -15.424 -2.791 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.266 -15.625 -5.095 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.529 -16.942 -5.446 1.00 0.00 H new ATOM 1365 N LEU A 98 -1.906 -11.579 0.106 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.646 -11.755 0.821 1.00 0.00 C ATOM 1367 C LEU A 98 -0.030 -13.116 0.512 1.00 0.00 C ATOM 1368 O LEU A 98 -0.572 -14.154 0.894 1.00 0.00 O ATOM 1369 CB LEU A 98 -0.867 -11.612 2.327 1.00 0.00 C ATOM 1370 CG LEU A 98 0.337 -11.133 3.140 1.00 0.00 C ATOM 1371 CD1 LEU A 98 0.788 -9.761 2.666 1.00 0.00 C ATOM 1372 CD2 LEU A 98 0.000 -11.103 4.624 1.00 0.00 C ATOM 0 H LEU A 98 -2.738 -11.705 0.682 1.00 0.00 H new ATOM 0 HA LEU A 98 0.044 -10.980 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.690 -10.915 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.185 -12.577 2.721 1.00 0.00 H new ATOM 0 HG LEU A 98 1.157 -11.835 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.645 -9.436 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.070 -9.814 1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.027 -9.048 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.868 -10.760 5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.835 -10.423 4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.275 -12.105 4.955 1.00 0.00 H new ATOM 1384 N ILE A 99 1.105 -13.103 -0.179 1.00 0.00 N ATOM 1385 CA ILE A 99 1.796 -14.336 -0.535 1.00 0.00 C ATOM 1386 C ILE A 99 2.177 -15.132 0.708 1.00 0.00 C ATOM 1387 O ILE A 99 1.877 -16.321 0.814 1.00 0.00 O ATOM 1388 CB ILE A 99 3.066 -14.052 -1.359 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.736 -13.151 -2.551 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.694 -15.355 -1.830 1.00 0.00 C ATOM 1391 CD1 ILE A 99 3.958 -12.686 -3.313 1.00 0.00 C ATOM 0 H ILE A 99 1.565 -12.253 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 99 1.104 -14.922 -1.140 1.00 0.00 H new ATOM 0 HB ILE A 99 3.785 -13.534 -0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.076 -13.689 -3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.186 -12.280 -2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.590 -15.138 -2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.960 -15.964 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.982 -15.898 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.649 -12.052 -4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.609 -12.120 -2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.498 -13.551 -3.698 1.00 0.00 H new ATOM 1403 N LYS A 100 2.839 -14.467 1.649 1.00 0.00 N ATOM 1404 CA LYS A 100 3.259 -15.110 2.889 1.00 0.00 C ATOM 1405 C LYS A 100 2.073 -15.761 3.594 1.00 0.00 C ATOM 1406 O LYS A 100 2.247 -16.629 4.450 1.00 0.00 O ATOM 1407 CB LYS A 100 3.921 -14.090 3.817 1.00 0.00 C ATOM 1408 CG LYS A 100 3.144 -12.791 3.947 1.00 0.00 C ATOM 1409 CD LYS A 100 3.804 -11.842 4.933 1.00 0.00 C ATOM 1410 CE LYS A 100 4.055 -12.517 6.273 1.00 0.00 C ATOM 1411 NZ LYS A 100 4.312 -11.525 7.354 1.00 0.00 N ATOM 0 H LYS A 100 3.096 -13.483 1.577 1.00 0.00 H new ATOM 0 HA LYS A 100 3.981 -15.887 2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.039 -14.534 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.922 -13.869 3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.071 -12.310 2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.126 -13.006 4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.748 -11.486 4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.170 -10.967 5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.193 -13.129 6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.908 -13.190 6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.478 -12.024 8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.150 -10.958 7.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.487 -10.899 7.454 1.00 0.00 H new ATOM 1425 N HIS A 101 0.868 -15.337 3.228 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.348 -15.880 3.824 1.00 0.00 C ATOM 1427 C HIS A 101 -1.541 -15.690 2.893 1.00 0.00 C ATOM 1428 O HIS A 101 -2.059 -14.583 2.748 1.00 0.00 O ATOM 1429 CB HIS A 101 -0.624 -15.210 5.170 1.00 0.00 C ATOM 1430 CG HIS A 101 0.446 -15.450 6.190 1.00 0.00 C ATOM 1431 ND1 HIS A 101 0.882 -16.710 6.541 1.00 0.00 N ATOM 1432 CD2 HIS A 101 1.171 -14.582 6.934 1.00 0.00 C ATOM 1433 CE1 HIS A 101 1.827 -16.607 7.459 1.00 0.00 C ATOM 1434 NE2 HIS A 101 2.022 -15.326 7.714 1.00 0.00 N ATOM 0 H HIS A 101 0.707 -14.619 2.522 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.200 -16.948 3.982 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.733 -14.136 5.016 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.574 -15.575 5.560 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.094 -13.505 6.917 1.00 0.00 H new ATOM 0 HE1 HIS A 101 2.351 -17.430 7.922 1.00 0.00 H new ATOM 0 HE2 HIS A 101 2.695 -14.950 8.382 1.00 0.00 H new ATOM 1443 N LYS A 102 -1.973 -16.777 2.263 1.00 0.00 N ATOM 1444 CA LYS A 102 -3.106 -16.732 1.347 1.00 0.00 C ATOM 1445 C LYS A 102 -4.425 -16.849 2.105 1.00 0.00 C ATOM 1446 O LYS A 102 -5.410 -17.365 1.579 1.00 0.00 O ATOM 1447 CB LYS A 102 -2.998 -17.857 0.314 1.00 0.00 C ATOM 1448 CG LYS A 102 -2.193 -17.477 -0.916 1.00 0.00 C ATOM 1449 CD LYS A 102 -2.394 -18.476 -2.044 1.00 0.00 C ATOM 1450 CE LYS A 102 -1.364 -19.594 -1.988 1.00 0.00 C ATOM 1451 NZ LYS A 102 -1.219 -20.280 -3.302 1.00 0.00 N ATOM 0 H LYS A 102 -1.555 -17.701 2.370 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.087 -15.771 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.540 -18.727 0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.001 -18.153 0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.488 -16.483 -1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.135 -17.426 -0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.396 -18.900 -1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.324 -17.963 -3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.401 -19.185 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -1.657 -20.320 -1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.508 -21.035 -3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.132 -20.692 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.915 -19.593 -4.021 1.00 0.00 H new ATOM 1465 N MET A 103 -4.435 -16.364 3.342 1.00 0.00 N ATOM 1466 CA MET A 103 -5.634 -16.412 4.171 1.00 0.00 C ATOM 1467 C MET A 103 -6.446 -15.128 4.028 1.00 0.00 C ATOM 1468 O MET A 103 -7.585 -15.047 4.489 1.00 0.00 O ATOM 1469 CB MET A 103 -5.258 -16.630 5.638 1.00 0.00 C ATOM 1470 CG MET A 103 -4.759 -18.035 5.935 1.00 0.00 C ATOM 1471 SD MET A 103 -3.298 -18.471 4.974 1.00 0.00 S ATOM 1472 CE MET A 103 -2.071 -18.618 6.271 1.00 0.00 C ATOM 0 H MET A 103 -3.627 -15.934 3.792 1.00 0.00 H new ATOM 0 HA MET A 103 -6.246 -17.248 3.832 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.486 -15.913 5.917 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.127 -16.422 6.262 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.528 -18.117 6.997 1.00 0.00 H new ATOM 0 HG3 MET A 103 -5.554 -18.751 5.725 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.109 -18.885 5.833 1.00 0.00 H new ATOM 0 HE2 MET A 103 -1.980 -17.667 6.795 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.377 -19.392 6.975 1.00 0.00 H new ATOM 1482 N LEU A 104 -5.852 -14.127 3.387 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.521 -12.847 3.183 1.00 0.00 C ATOM 1484 C LEU A 104 -6.286 -12.329 1.767 1.00 0.00 C ATOM 1485 O LEU A 104 -5.148 -12.256 1.305 1.00 0.00 O ATOM 1486 CB LEU A 104 -6.022 -11.821 4.202 1.00 0.00 C ATOM 1487 CG LEU A 104 -4.514 -11.800 4.451 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -4.064 -10.416 4.890 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -4.131 -12.843 5.492 1.00 0.00 C ATOM 0 H LEU A 104 -4.910 -14.177 3.000 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.591 -12.998 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.329 -10.829 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.524 -12.008 5.151 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.008 -12.044 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.988 -10.421 5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.303 -9.692 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.578 -10.142 5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.054 -12.814 5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.647 -12.630 6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.417 -13.833 5.137 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.370 -11.971 1.086 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.281 -11.459 -0.276 1.00 0.00 C ATOM 1503 C GLN A 105 -8.158 -10.224 -0.452 1.00 0.00 C ATOM 1504 O GLN A 105 -9.115 -10.018 0.294 1.00 0.00 O ATOM 1505 CB GLN A 105 -7.694 -12.539 -1.277 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.260 -13.939 -0.875 1.00 0.00 C ATOM 1507 CD GLN A 105 -8.060 -15.021 -1.574 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -8.934 -15.648 -0.974 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -7.766 -15.246 -2.849 1.00 0.00 N ATOM 0 H GLN A 105 -8.319 -12.026 1.455 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.245 -11.176 -0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.778 -12.522 -1.390 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.268 -12.301 -2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.203 -14.068 -1.106 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.367 -14.053 0.204 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.034 -14.703 -3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.272 -15.962 -3.370 1.00 0.00 H new ATOM 1518 N GLY A 106 -7.824 -9.403 -1.443 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.591 -8.198 -1.698 1.00 0.00 C ATOM 1520 C GLY A 106 -7.885 -7.251 -2.648 1.00 0.00 C ATOM 1521 O GLY A 106 -7.243 -7.686 -3.605 1.00 0.00 O ATOM 0 H GLY A 106 -7.036 -9.551 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.561 -8.470 -2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.782 -7.686 -0.755 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.003 -5.954 -2.385 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.370 -4.944 -3.225 1.00 0.00 C ATOM 1527 C ILE A 107 -6.661 -3.892 -2.379 1.00 0.00 C ATOM 1528 O ILE A 107 -6.942 -3.743 -1.190 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.397 -4.247 -4.137 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.631 -3.835 -3.331 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -8.790 -5.161 -5.288 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.573 -2.927 -4.090 1.00 0.00 C ATOM 0 H ILE A 107 -8.531 -5.578 -1.597 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.638 -5.462 -3.845 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.941 -3.348 -4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.171 -4.731 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.308 -3.331 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.516 -4.654 -5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.905 -5.409 -5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.231 -6.076 -4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.424 -2.676 -3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.049 -2.014 -4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -10.925 -3.436 -4.987 1.00 0.00 H new ATOM 1544 N PHE A 108 -5.741 -3.162 -3.001 1.00 0.00 N ATOM 1545 CA PHE A 108 -4.991 -2.122 -2.307 1.00 0.00 C ATOM 1546 C PHE A 108 -4.535 -1.039 -3.279 1.00 0.00 C ATOM 1547 O PHE A 108 -4.486 -1.239 -4.493 1.00 0.00 O ATOM 1548 CB PHE A 108 -3.780 -2.727 -1.594 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.234 -3.951 -2.273 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -3.729 -5.208 -1.966 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -2.228 -3.843 -3.219 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -3.228 -6.335 -2.589 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -1.723 -4.967 -3.845 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.225 -6.215 -3.530 1.00 0.00 C ATOM 0 H PHE A 108 -5.497 -3.272 -3.985 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.649 -1.667 -1.567 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.993 -1.975 -1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.060 -2.983 -0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.515 -5.308 -1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.834 -2.869 -3.470 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -3.621 -7.310 -2.340 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.937 -4.870 -4.579 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.834 -7.095 -4.019 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.193 0.138 -2.735 1.00 0.00 N ATOM 1565 CA PRO A 109 -3.735 1.278 -3.535 1.00 0.00 C ATOM 1566 C PRO A 109 -2.354 1.044 -4.138 1.00 0.00 C ATOM 1567 O PRO A 109 -1.425 0.628 -3.446 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.690 2.426 -2.525 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.502 1.762 -1.204 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.227 0.448 -1.295 1.00 0.00 C ATOM 0 HA PRO A 109 -4.389 1.468 -4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.872 3.113 -2.743 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.611 3.009 -2.547 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.444 1.610 -0.991 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.905 2.375 -0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.733 -0.325 -0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.249 0.527 -0.925 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.225 1.315 -5.433 1.00 0.00 N ATOM 1579 CA LYS A 110 -0.957 1.136 -6.130 1.00 0.00 C ATOM 1580 C LYS A 110 0.115 2.055 -5.553 1.00 0.00 C ATOM 1581 O LYS A 110 1.309 1.769 -5.650 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.130 1.412 -7.625 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.299 0.670 -8.249 1.00 0.00 C ATOM 1584 CD LYS A 110 -2.817 1.384 -9.486 1.00 0.00 C ATOM 1585 CE LYS A 110 -1.749 1.473 -10.566 1.00 0.00 C ATOM 1586 NZ LYS A 110 -1.633 0.205 -11.338 1.00 0.00 N ATOM 0 H LYS A 110 -2.984 1.660 -6.021 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.638 0.103 -5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.269 2.483 -7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.214 1.133 -8.146 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.989 -0.341 -8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.103 0.576 -7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.687 0.855 -9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.148 2.387 -9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.987 2.291 -11.246 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.788 1.708 -10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.738 0.201 -11.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.652 -0.603 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.429 0.130 -12.004 1.00 0.00 H new ATOM 1600 N SER A 111 -0.318 3.159 -4.953 1.00 0.00 N ATOM 1601 CA SER A 111 0.605 4.121 -4.362 1.00 0.00 C ATOM 1602 C SER A 111 1.304 3.526 -3.144 1.00 0.00 C ATOM 1603 O SER A 111 2.266 4.094 -2.626 1.00 0.00 O ATOM 1604 CB SER A 111 -0.140 5.397 -3.965 1.00 0.00 C ATOM 1605 OG SER A 111 -1.052 5.147 -2.909 1.00 0.00 O ATOM 0 H SER A 111 -1.303 3.410 -4.863 1.00 0.00 H new ATOM 0 HA SER A 111 1.361 4.368 -5.108 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.576 6.160 -3.659 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.677 5.792 -4.828 1.00 0.00 H new ATOM 0 HG SER A 111 -1.514 5.978 -2.672 1.00 0.00 H new ATOM 1611 N PHE A 112 0.813 2.377 -2.690 1.00 0.00 N ATOM 1612 CA PHE A 112 1.389 1.704 -1.532 1.00 0.00 C ATOM 1613 C PHE A 112 2.226 0.503 -1.961 1.00 0.00 C ATOM 1614 O PHE A 112 3.039 -0.008 -1.190 1.00 0.00 O ATOM 1615 CB PHE A 112 0.282 1.253 -0.575 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.204 2.344 0.336 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -0.731 3.515 -0.183 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.134 2.197 1.712 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.178 4.520 0.653 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.580 3.199 2.554 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.104 4.362 2.023 1.00 0.00 C ATOM 0 H PHE A 112 0.018 1.893 -3.107 1.00 0.00 H new ATOM 0 HA PHE A 112 2.039 2.412 -1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.559 0.875 -1.157 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.650 0.424 0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.793 3.644 -1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.274 1.289 2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.585 5.429 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.519 3.073 3.625 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.455 5.146 2.678 1.00 0.00 H new ATOM 1631 N ILE A 113 2.021 0.058 -3.196 1.00 0.00 N ATOM 1632 CA ILE A 113 2.757 -1.082 -3.728 1.00 0.00 C ATOM 1633 C ILE A 113 3.899 -0.627 -4.630 1.00 0.00 C ATOM 1634 O ILE A 113 3.700 0.166 -5.551 1.00 0.00 O ATOM 1635 CB ILE A 113 1.835 -2.026 -4.524 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.649 -2.461 -3.662 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.614 -3.237 -5.014 1.00 0.00 C ATOM 1638 CD1 ILE A 113 1.056 -3.107 -2.356 1.00 0.00 C ATOM 0 H ILE A 113 1.352 0.469 -3.847 1.00 0.00 H new ATOM 0 HA ILE A 113 3.165 -1.621 -2.873 1.00 0.00 H new ATOM 0 HB ILE A 113 1.451 -1.490 -5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 113 0.026 -1.592 -3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.036 -3.161 -4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.950 -3.895 -5.574 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.429 -2.909 -5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.023 -3.777 -4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.164 -3.390 -1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.653 -3.996 -2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.644 -2.402 -1.769 1.00 0.00 H new ATOM 1650 N HIS A 114 5.098 -1.135 -4.360 1.00 0.00 N ATOM 1651 CA HIS A 114 6.273 -0.782 -5.148 1.00 0.00 C ATOM 1652 C HIS A 114 6.611 -1.887 -6.144 1.00 0.00 C ATOM 1653 O HIS A 114 7.205 -2.903 -5.781 1.00 0.00 O ATOM 1654 CB HIS A 114 7.469 -0.522 -4.232 1.00 0.00 C ATOM 1655 CG HIS A 114 8.694 -0.064 -4.962 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.763 1.134 -5.640 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.904 -0.651 -5.114 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.961 1.264 -6.181 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.673 0.194 -5.876 1.00 0.00 N ATOM 0 H HIS A 114 5.281 -1.792 -3.602 1.00 0.00 H new ATOM 0 HA HIS A 114 6.047 0.128 -5.704 1.00 0.00 H new ATOM 0 HB2 HIS A 114 7.194 0.231 -3.493 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.702 -1.435 -3.685 1.00 0.00 H new ATOM 0 HD2 HIS A 114 10.208 -1.606 -4.711 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.300 2.102 -6.772 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.638 0.023 -6.160 1.00 0.00 H new ATOM 1668 N ILE A 115 6.228 -1.683 -7.400 1.00 0.00 N ATOM 1669 CA ILE A 115 6.491 -2.662 -8.447 1.00 0.00 C ATOM 1670 C ILE A 115 7.987 -2.808 -8.700 1.00 0.00 C ATOM 1671 O ILE A 115 8.640 -1.881 -9.181 1.00 0.00 O ATOM 1672 CB ILE A 115 5.794 -2.277 -9.766 1.00 0.00 C ATOM 1673 CG1 ILE A 115 4.281 -2.173 -9.557 1.00 0.00 C ATOM 1674 CG2 ILE A 115 6.115 -3.294 -10.851 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.674 -3.402 -8.918 1.00 0.00 C ATOM 0 H ILE A 115 5.735 -0.848 -7.717 1.00 0.00 H new ATOM 0 HA ILE A 115 6.090 -3.613 -8.097 1.00 0.00 H new ATOM 0 HB ILE A 115 6.166 -1.304 -10.086 1.00 0.00 H new ATOM 0 HG12 ILE A 115 4.067 -1.306 -8.933 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.800 -1.999 -10.520 1.00 0.00 H new ATOM 0 HG21 ILE A 115 5.615 -3.008 -11.777 1.00 0.00 H new ATOM 0 HG22 ILE A 115 7.192 -3.324 -11.014 1.00 0.00 H new ATOM 0 HG23 ILE A 115 5.768 -4.279 -10.540 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.600 -3.258 -8.800 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.856 -4.270 -9.552 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.127 -3.565 -7.940 1.00 0.00 H new ATOM 1687 N LYS A 116 8.526 -3.978 -8.376 1.00 0.00 N ATOM 1688 CA LYS A 116 9.945 -4.249 -8.570 1.00 0.00 C ATOM 1689 C LYS A 116 10.226 -4.672 -10.009 1.00 0.00 C ATOM 1690 O LYS A 116 9.497 -5.482 -10.580 1.00 0.00 O ATOM 1691 CB LYS A 116 10.414 -5.340 -7.605 1.00 0.00 C ATOM 1692 CG LYS A 116 9.813 -5.222 -6.216 1.00 0.00 C ATOM 1693 CD LYS A 116 10.017 -6.495 -5.410 1.00 0.00 C ATOM 1694 CE LYS A 116 11.386 -6.522 -4.749 1.00 0.00 C ATOM 1695 NZ LYS A 116 11.536 -7.686 -3.832 1.00 0.00 N ATOM 0 H LYS A 116 8.000 -4.755 -7.977 1.00 0.00 H new ATOM 0 HA LYS A 116 10.496 -3.331 -8.365 1.00 0.00 H new ATOM 0 HB2 LYS A 116 10.159 -6.315 -8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.500 -5.301 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.268 -4.382 -5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.747 -5.008 -6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.242 -6.572 -4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.910 -7.361 -6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.159 -6.562 -5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.538 -5.598 -4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.482 -7.669 -3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.814 -7.635 -3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.416 -8.569 -4.369 1.00 0.00 H new