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 Single : A 61 HIS : no HD1:sc= -5.62! C(o=-5.6!,f=-7.5!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= 0.718 F(o=-1.1,f=0.72) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot -102:sc= 1.26 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl 151:sc= -0.128 (180deg=-1.64!) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 116 LYS NZ :NH3+ -142:sc= -1.2 (180deg=-3.33!) USER MOD ----------------------------------------------------------------- ATOM 781 N ARG A 60 2.106 -9.736 -11.586 1.00 0.00 N ATOM 782 CA ARG A 60 3.112 -8.716 -11.319 1.00 0.00 C ATOM 783 C ARG A 60 3.614 -8.810 -9.881 1.00 0.00 C ATOM 784 O ARG A 60 2.872 -9.197 -8.977 1.00 0.00 O ATOM 785 CB ARG A 60 2.538 -7.322 -11.580 1.00 0.00 C ATOM 786 CG ARG A 60 3.580 -6.308 -12.023 1.00 0.00 C ATOM 787 CD ARG A 60 2.998 -4.905 -12.090 1.00 0.00 C ATOM 788 NE ARG A 60 2.341 -4.645 -13.368 1.00 0.00 N ATOM 789 CZ ARG A 60 1.452 -3.676 -13.555 1.00 0.00 C ATOM 790 NH1 ARG A 60 1.115 -2.879 -12.550 1.00 0.00 N ATOM 791 NH2 ARG A 60 0.897 -3.503 -14.748 1.00 0.00 N ATOM 0 HA ARG A 60 3.953 -8.887 -11.991 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.765 -7.394 -12.345 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.055 -6.961 -10.672 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.421 -6.322 -11.329 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.970 -6.589 -13.002 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.281 -4.771 -11.280 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.793 -4.175 -11.936 1.00 0.00 H new ATOM 0 HE ARG A 60 2.578 -5.241 -14.161 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.539 -3.010 -11.631 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.432 -2.135 -12.696 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.153 -4.115 -15.523 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.214 -2.758 -14.890 1.00 0.00 H new ATOM 805 N HIS A 61 4.878 -8.453 -9.676 1.00 0.00 N ATOM 806 CA HIS A 61 5.479 -8.497 -8.348 1.00 0.00 C ATOM 807 C HIS A 61 5.516 -7.106 -7.722 1.00 0.00 C ATOM 808 O HIS A 61 6.057 -6.167 -8.305 1.00 0.00 O ATOM 809 CB HIS A 61 6.893 -9.074 -8.423 1.00 0.00 C ATOM 810 CG HIS A 61 7.282 -9.865 -7.213 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.346 -9.528 -6.403 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.742 -10.984 -6.675 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.445 -10.406 -5.421 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.482 -11.300 -5.563 1.00 0.00 N ATOM 0 H HIS A 61 5.506 -8.130 -10.412 1.00 0.00 H new ATOM 0 HA HIS A 61 4.865 -9.142 -7.720 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.970 -9.711 -9.304 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.603 -8.258 -8.557 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.888 -11.527 -7.051 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.187 -10.395 -4.636 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.316 -12.095 -4.947 1.00 0.00 H new ATOM 823 N GLY A 62 4.938 -6.981 -6.531 1.00 0.00 N ATOM 824 CA GLY A 62 4.916 -5.702 -5.847 1.00 0.00 C ATOM 825 C GLY A 62 5.418 -5.798 -4.421 1.00 0.00 C ATOM 826 O GLY A 62 5.615 -6.894 -3.896 1.00 0.00 O ATOM 0 H GLY A 62 4.484 -7.744 -6.028 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.529 -4.989 -6.397 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.898 -5.312 -5.845 1.00 0.00 H new ATOM 830 N VAL A 63 5.629 -4.647 -3.790 1.00 0.00 N ATOM 831 CA VAL A 63 6.112 -4.606 -2.415 1.00 0.00 C ATOM 832 C VAL A 63 5.490 -3.445 -1.648 1.00 0.00 C ATOM 833 O VAL A 63 5.544 -2.297 -2.088 1.00 0.00 O ATOM 834 CB VAL A 63 7.646 -4.477 -2.363 1.00 0.00 C ATOM 835 CG1 VAL A 63 8.096 -3.997 -0.992 1.00 0.00 C ATOM 836 CG2 VAL A 63 8.304 -5.803 -2.715 1.00 0.00 C ATOM 0 H VAL A 63 5.473 -3.730 -4.209 1.00 0.00 H new ATOM 0 HA VAL A 63 5.817 -5.546 -1.948 1.00 0.00 H new ATOM 0 HB VAL A 63 7.956 -3.736 -3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.183 -3.912 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.653 -3.023 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.776 -4.711 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.388 -5.694 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.989 -6.566 -2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.008 -6.101 -3.721 1.00 0.00 H new ATOM 846 N ALA A 64 4.899 -3.751 -0.498 1.00 0.00 N ATOM 847 CA ALA A 64 4.268 -2.733 0.332 1.00 0.00 C ATOM 848 C ALA A 64 5.302 -1.759 0.887 1.00 0.00 C ATOM 849 O ALA A 64 6.241 -2.161 1.574 1.00 0.00 O ATOM 850 CB ALA A 64 3.491 -3.384 1.467 1.00 0.00 C ATOM 0 H ALA A 64 4.844 -4.697 -0.120 1.00 0.00 H new ATOM 0 HA ALA A 64 3.574 -2.170 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.025 -2.612 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.720 -4.034 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.171 -3.973 2.082 1.00 0.00 H new ATOM 856 N ILE A 65 5.123 -0.478 0.584 1.00 0.00 N ATOM 857 CA ILE A 65 6.040 0.553 1.053 1.00 0.00 C ATOM 858 C ILE A 65 5.437 1.340 2.212 1.00 0.00 C ATOM 859 O ILE A 65 6.151 1.795 3.106 1.00 0.00 O ATOM 860 CB ILE A 65 6.415 1.530 -0.077 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.165 1.952 -0.851 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.434 0.894 -1.010 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.399 3.112 -1.792 1.00 0.00 C ATOM 0 H ILE A 65 4.351 -0.129 0.016 1.00 0.00 H new ATOM 0 HA ILE A 65 6.941 0.042 1.394 1.00 0.00 H new ATOM 0 HB ILE A 65 6.863 2.420 0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.797 1.100 -1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.383 2.222 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.689 1.597 -1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.333 0.639 -0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.012 -0.010 -1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.470 3.356 -2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.738 3.978 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.158 2.839 -2.525 1.00 0.00 H new ATOM 875 N TYR A 66 4.118 1.496 2.190 1.00 0.00 N ATOM 876 CA TYR A 66 3.418 2.229 3.238 1.00 0.00 C ATOM 877 C TYR A 66 2.470 1.312 4.004 1.00 0.00 C ATOM 878 O TYR A 66 1.680 0.580 3.409 1.00 0.00 O ATOM 879 CB TYR A 66 2.638 3.400 2.637 1.00 0.00 C ATOM 880 CG TYR A 66 3.509 4.576 2.257 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.009 5.437 3.226 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.833 4.825 0.929 1.00 0.00 C ATOM 883 CE1 TYR A 66 4.805 6.513 2.883 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.629 5.898 0.577 1.00 0.00 C ATOM 885 CZ TYR A 66 5.112 6.739 1.557 1.00 0.00 C ATOM 886 OH TYR A 66 5.905 7.810 1.212 1.00 0.00 O ATOM 0 H TYR A 66 3.512 1.125 1.458 1.00 0.00 H new ATOM 0 HA TYR A 66 4.162 2.616 3.934 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.103 3.054 1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.887 3.732 3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.771 5.262 4.265 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.456 4.169 0.159 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.185 7.173 3.649 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.872 6.077 -0.460 1.00 0.00 H new ATOM 0 HH TYR A 66 6.027 7.827 0.240 1.00 0.00 H new ATOM 896 N ASN A 67 2.555 1.358 5.330 1.00 0.00 N ATOM 897 CA ASN A 67 1.705 0.531 6.179 1.00 0.00 C ATOM 898 C ASN A 67 0.236 0.910 6.012 1.00 0.00 C ATOM 899 O ASN A 67 -0.182 2.002 6.396 1.00 0.00 O ATOM 900 CB ASN A 67 2.117 0.677 7.645 1.00 0.00 C ATOM 901 CG ASN A 67 2.459 2.109 8.010 1.00 0.00 C ATOM 902 OD1 ASN A 67 3.617 2.301 8.631 1.00 0.00 O flip ATOM 903 ND2 ASN A 67 1.691 3.031 7.736 1.00 0.00 N flip ATOM 0 H ASN A 67 3.203 1.959 5.839 1.00 0.00 H new ATOM 0 HA ASN A 67 1.831 -0.508 5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.307 0.326 8.284 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.978 0.039 7.843 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.811 2.837 7.258 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.934 3.989 7.987 1.00 0.00 H new ATOM 910 N PHE A 68 -0.542 -0.001 5.438 1.00 0.00 N ATOM 911 CA PHE A 68 -1.964 0.236 5.219 1.00 0.00 C ATOM 912 C PHE A 68 -2.808 -0.583 6.191 1.00 0.00 C ATOM 913 O PHE A 68 -2.588 -1.781 6.363 1.00 0.00 O ATOM 914 CB PHE A 68 -2.346 -0.110 3.779 1.00 0.00 C ATOM 915 CG PHE A 68 -3.804 0.089 3.480 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.723 -0.912 3.749 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.257 1.278 2.930 1.00 0.00 C ATOM 918 CE1 PHE A 68 -6.066 -0.732 3.476 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.598 1.464 2.655 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.504 0.457 2.927 1.00 0.00 C ATOM 0 H PHE A 68 -0.212 -0.911 5.116 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.161 1.293 5.395 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.757 0.504 3.098 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.081 -1.149 3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.386 -1.844 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.553 2.068 2.714 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.772 -1.520 3.692 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.938 2.396 2.228 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.552 0.599 2.711 1.00 0.00 H new ATOM 930 N GLN A 69 -3.775 0.074 6.825 1.00 0.00 N ATOM 931 CA GLN A 69 -4.651 -0.593 7.781 1.00 0.00 C ATOM 932 C GLN A 69 -6.091 -0.611 7.279 1.00 0.00 C ATOM 933 O GLN A 69 -6.734 0.432 7.169 1.00 0.00 O ATOM 934 CB GLN A 69 -4.582 0.104 9.141 1.00 0.00 C ATOM 935 CG GLN A 69 -3.359 -0.278 9.959 1.00 0.00 C ATOM 936 CD GLN A 69 -2.932 0.816 10.917 1.00 0.00 C ATOM 937 OE1 GLN A 69 -3.767 1.501 11.508 1.00 0.00 O ATOM 938 NE2 GLN A 69 -1.624 0.988 11.075 1.00 0.00 N ATOM 0 H GLN A 69 -3.971 1.066 6.694 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.310 -1.623 7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.583 1.183 8.987 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.480 -0.138 9.710 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.573 -1.186 10.523 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.534 -0.508 9.285 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.967 0.398 10.565 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.277 1.710 11.706 1.00 0.00 H new ATOM 947 N GLY A 70 -6.591 -1.805 6.975 1.00 0.00 N ATOM 948 CA GLY A 70 -7.952 -1.937 6.487 1.00 0.00 C ATOM 949 C GLY A 70 -8.926 -2.322 7.583 1.00 0.00 C ATOM 950 O GLY A 70 -8.547 -2.432 8.749 1.00 0.00 O ATOM 0 H GLY A 70 -6.078 -2.683 7.058 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.267 -0.994 6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.981 -2.689 5.699 1.00 0.00 H new ATOM 954 N SER A 71 -10.185 -2.525 7.208 1.00 0.00 N ATOM 955 CA SER A 71 -11.218 -2.894 8.169 1.00 0.00 C ATOM 956 C SER A 71 -11.816 -4.255 7.827 1.00 0.00 C ATOM 957 O SER A 71 -12.015 -5.096 8.703 1.00 0.00 O ATOM 958 CB SER A 71 -12.320 -1.833 8.199 1.00 0.00 C ATOM 959 OG SER A 71 -11.953 -0.740 9.023 1.00 0.00 O ATOM 0 H SER A 71 -10.514 -2.440 6.246 1.00 0.00 H new ATOM 0 HA SER A 71 -10.757 -2.956 9.155 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.517 -1.480 7.187 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.245 -2.276 8.567 1.00 0.00 H new ATOM 0 HG SER A 71 -12.673 -0.075 9.024 1.00 0.00 H new ATOM 965 N GLY A 72 -12.101 -4.465 6.546 1.00 0.00 N ATOM 966 CA GLY A 72 -12.674 -5.725 6.109 1.00 0.00 C ATOM 967 C GLY A 72 -13.000 -5.731 4.629 1.00 0.00 C ATOM 968 O GLY A 72 -13.319 -4.692 4.052 1.00 0.00 O ATOM 0 H GLY A 72 -11.945 -3.785 5.802 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.976 -6.533 6.327 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.582 -5.925 6.679 1.00 0.00 H new ATOM 972 N ALA A 73 -12.919 -6.906 4.012 1.00 0.00 N ATOM 973 CA ALA A 73 -13.208 -7.043 2.590 1.00 0.00 C ATOM 974 C ALA A 73 -14.345 -6.118 2.169 1.00 0.00 C ATOM 975 O ALA A 73 -15.238 -5.797 2.953 1.00 0.00 O ATOM 976 CB ALA A 73 -13.550 -8.488 2.259 1.00 0.00 C ATOM 0 H ALA A 73 -12.656 -7.776 4.475 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.316 -6.755 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.764 -8.576 1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.706 -9.129 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.425 -8.795 2.831 1.00 0.00 H new ATOM 982 N PRO A 74 -14.313 -5.679 0.903 1.00 0.00 N ATOM 983 CA PRO A 74 -13.255 -6.054 -0.039 1.00 0.00 C ATOM 984 C PRO A 74 -11.912 -5.425 0.316 1.00 0.00 C ATOM 985 O PRO A 74 -10.905 -5.675 -0.345 1.00 0.00 O ATOM 986 CB PRO A 74 -13.762 -5.512 -1.378 1.00 0.00 C ATOM 987 CG PRO A 74 -14.670 -4.389 -1.012 1.00 0.00 C ATOM 988 CD PRO A 74 -15.308 -4.780 0.292 1.00 0.00 C ATOM 0 HA PRO A 74 -13.074 -7.129 -0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.938 -5.168 -2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.290 -6.281 -1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.115 -3.456 -0.911 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -15.424 -4.230 -1.783 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.504 -3.911 0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -16.263 -5.283 0.137 1.00 0.00 H new ATOM 996 N GLN A 75 -11.906 -4.608 1.364 1.00 0.00 N ATOM 997 CA GLN A 75 -10.686 -3.943 1.807 1.00 0.00 C ATOM 998 C GLN A 75 -9.695 -4.950 2.383 1.00 0.00 C ATOM 999 O GLN A 75 -10.075 -5.852 3.130 1.00 0.00 O ATOM 1000 CB GLN A 75 -11.012 -2.875 2.852 1.00 0.00 C ATOM 1001 CG GLN A 75 -11.692 -1.645 2.273 1.00 0.00 C ATOM 1002 CD GLN A 75 -12.387 -0.811 3.331 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -12.075 -0.906 4.518 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -13.336 0.015 2.905 1.00 0.00 N ATOM 0 H GLN A 75 -12.732 -4.391 1.922 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.228 -3.465 0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.656 -3.311 3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.090 -2.571 3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.951 -1.032 1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.420 -1.956 1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.563 0.062 1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.838 0.602 3.571 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.425 -4.790 2.031 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.378 -5.685 2.513 1.00 0.00 C ATOM 1015 C LEU A 76 -6.226 -4.896 3.127 1.00 0.00 C ATOM 1016 O LEU A 76 -5.816 -3.863 2.597 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.861 -6.559 1.369 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.569 -7.330 1.645 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -5.851 -8.551 2.506 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.902 -7.737 0.339 1.00 0.00 C ATOM 0 H LEU A 76 -8.094 -4.049 1.413 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.807 -6.324 3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.639 -7.276 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.703 -5.925 0.497 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.887 -6.677 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.921 -9.088 2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.284 -8.235 3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.551 -9.207 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.984 -8.284 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.578 -8.373 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.665 -6.846 -0.242 1.00 0.00 H new ATOM 1032 N SER A 77 -5.708 -5.390 4.246 1.00 0.00 N ATOM 1033 CA SER A 77 -4.604 -4.730 4.933 1.00 0.00 C ATOM 1034 C SER A 77 -3.273 -5.057 4.262 1.00 0.00 C ATOM 1035 O SER A 77 -3.188 -5.966 3.436 1.00 0.00 O ATOM 1036 CB SER A 77 -4.564 -5.154 6.403 1.00 0.00 C ATOM 1037 OG SER A 77 -4.052 -6.468 6.542 1.00 0.00 O ATOM 0 H SER A 77 -6.035 -6.245 4.697 1.00 0.00 H new ATOM 0 HA SER A 77 -4.765 -3.653 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.945 -4.458 6.969 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.567 -5.105 6.826 1.00 0.00 H new ATOM 0 HG SER A 77 -4.035 -6.714 7.490 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.236 -4.309 4.623 1.00 0.00 N ATOM 1044 CA LEU A 78 -0.908 -4.517 4.057 1.00 0.00 C ATOM 1045 C LEU A 78 0.177 -4.107 5.047 1.00 0.00 C ATOM 1046 O LEU A 78 -0.052 -3.272 5.922 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.756 -3.724 2.758 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.152 -4.454 1.474 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -1.014 -3.533 0.272 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.305 -5.705 1.290 1.00 0.00 C ATOM 0 H LEU A 78 -2.289 -3.553 5.305 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.794 -5.580 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.357 -2.818 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.284 -3.410 2.667 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.196 -4.755 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.300 -4.070 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.663 -2.667 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.021 -3.201 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.600 -6.212 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.747 -5.426 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.454 -6.374 2.138 1.00 0.00 H new ATOM 1062 N GLN A 79 1.358 -4.699 4.902 1.00 0.00 N ATOM 1063 CA GLN A 79 2.478 -4.394 5.783 1.00 0.00 C ATOM 1064 C GLN A 79 3.729 -4.059 4.978 1.00 0.00 C ATOM 1065 O GLN A 79 4.075 -4.765 4.029 1.00 0.00 O ATOM 1066 CB GLN A 79 2.758 -5.574 6.715 1.00 0.00 C ATOM 1067 CG GLN A 79 1.913 -5.565 7.979 1.00 0.00 C ATOM 1068 CD GLN A 79 2.258 -6.703 8.920 1.00 0.00 C ATOM 1069 OE1 GLN A 79 3.430 -7.018 9.127 1.00 0.00 O ATOM 1070 NE2 GLN A 79 1.236 -7.326 9.495 1.00 0.00 N ATOM 0 H GLN A 79 1.564 -5.392 4.183 1.00 0.00 H new ATOM 0 HA GLN A 79 2.209 -3.523 6.381 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.579 -6.503 6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.812 -5.565 6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.051 -4.616 8.497 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.859 -5.630 7.708 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.280 -7.031 9.294 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.406 -8.100 10.138 1.00 0.00 H new ATOM 1079 N ILE A 80 4.403 -2.980 5.361 1.00 0.00 N ATOM 1080 CA ILE A 80 5.615 -2.553 4.674 1.00 0.00 C ATOM 1081 C ILE A 80 6.636 -3.684 4.605 1.00 0.00 C ATOM 1082 O ILE A 80 7.058 -4.216 5.631 1.00 0.00 O ATOM 1083 CB ILE A 80 6.258 -1.338 5.369 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.287 -0.156 5.380 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.558 -0.958 4.676 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.792 1.033 6.167 1.00 0.00 C ATOM 0 H ILE A 80 4.130 -2.386 6.144 1.00 0.00 H new ATOM 0 HA ILE A 80 5.321 -2.270 3.663 1.00 0.00 H new ATOM 0 HB ILE A 80 6.485 -1.606 6.401 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.093 0.154 4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.335 -0.482 5.800 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.000 -0.098 5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.251 -1.798 4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.355 -0.705 3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.053 1.833 6.132 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.959 0.739 7.203 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.728 1.385 5.734 1.00 0.00 H new ATOM 1098 N GLY A 81 7.029 -4.046 3.388 1.00 0.00 N ATOM 1099 CA GLY A 81 7.998 -5.111 3.208 1.00 0.00 C ATOM 1100 C GLY A 81 7.347 -6.435 2.860 1.00 0.00 C ATOM 1101 O GLY A 81 7.953 -7.495 3.021 1.00 0.00 O ATOM 0 H GLY A 81 6.694 -3.621 2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.695 -4.834 2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.581 -5.226 4.122 1.00 0.00 H new ATOM 1105 N ASP A 82 6.108 -6.376 2.384 1.00 0.00 N ATOM 1106 CA ASP A 82 5.373 -7.580 2.014 1.00 0.00 C ATOM 1107 C ASP A 82 5.204 -7.670 0.500 1.00 0.00 C ATOM 1108 O ASP A 82 5.115 -6.652 -0.186 1.00 0.00 O ATOM 1109 CB ASP A 82 4.003 -7.597 2.694 1.00 0.00 C ATOM 1110 CG ASP A 82 2.920 -6.983 1.830 1.00 0.00 C ATOM 1111 OD1 ASP A 82 3.215 -5.999 1.120 1.00 0.00 O ATOM 1112 OD2 ASP A 82 1.777 -7.485 1.864 1.00 0.00 O ATOM 0 H ASP A 82 5.592 -5.507 2.245 1.00 0.00 H new ATOM 0 HA ASP A 82 5.947 -8.443 2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.733 -8.625 2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.062 -7.054 3.637 1.00 0.00 H new ATOM 1117 N VAL A 83 5.162 -8.895 -0.014 1.00 0.00 N ATOM 1118 CA VAL A 83 5.004 -9.118 -1.446 1.00 0.00 C ATOM 1119 C VAL A 83 3.653 -9.750 -1.758 1.00 0.00 C ATOM 1120 O VAL A 83 3.392 -10.896 -1.392 1.00 0.00 O ATOM 1121 CB VAL A 83 6.122 -10.021 -2.000 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.897 -10.303 -3.478 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.484 -9.385 -1.771 1.00 0.00 C ATOM 0 H VAL A 83 5.235 -9.748 0.540 1.00 0.00 H new ATOM 0 HA VAL A 83 5.064 -8.142 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 83 6.097 -10.971 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.697 -10.942 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.939 -10.805 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.894 -9.364 -4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.262 -10.037 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.525 -8.421 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.643 -9.241 -0.702 1.00 0.00 H new ATOM 1133 N VAL A 84 2.795 -8.995 -2.438 1.00 0.00 N ATOM 1134 CA VAL A 84 1.470 -9.482 -2.801 1.00 0.00 C ATOM 1135 C VAL A 84 1.379 -9.764 -4.296 1.00 0.00 C ATOM 1136 O VAL A 84 1.795 -8.948 -5.119 1.00 0.00 O ATOM 1137 CB VAL A 84 0.374 -8.471 -2.413 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.434 -8.164 -0.925 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.510 -7.198 -3.235 1.00 0.00 C ATOM 0 H VAL A 84 2.994 -8.044 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 84 1.311 -10.408 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.598 -8.914 -2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.347 -7.448 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.284 -9.083 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.408 -7.741 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.272 -6.495 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.486 -6.749 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.413 -7.437 -4.294 1.00 0.00 H new ATOM 1149 N ARG A 85 0.832 -10.925 -4.642 1.00 0.00 N ATOM 1150 CA ARG A 85 0.686 -11.316 -6.039 1.00 0.00 C ATOM 1151 C ARG A 85 -0.389 -10.481 -6.728 1.00 0.00 C ATOM 1152 O ARG A 85 -1.576 -10.609 -6.426 1.00 0.00 O ATOM 1153 CB ARG A 85 0.337 -12.802 -6.142 1.00 0.00 C ATOM 1154 CG ARG A 85 0.724 -13.428 -7.471 1.00 0.00 C ATOM 1155 CD ARG A 85 2.207 -13.761 -7.520 1.00 0.00 C ATOM 1156 NE ARG A 85 2.570 -14.465 -8.747 1.00 0.00 N ATOM 1157 CZ ARG A 85 3.647 -15.233 -8.863 1.00 0.00 C ATOM 1158 NH1 ARG A 85 4.463 -15.397 -7.830 1.00 0.00 N ATOM 1159 NH2 ARG A 85 3.911 -15.841 -10.013 1.00 0.00 N ATOM 0 H ARG A 85 0.482 -11.612 -3.974 1.00 0.00 H new ATOM 0 HA ARG A 85 1.637 -11.138 -6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.837 -13.341 -5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.735 -12.926 -5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.141 -14.335 -7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.477 -12.743 -8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.788 -12.842 -7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.469 -14.375 -6.659 1.00 0.00 H new ATOM 0 HE ARG A 85 1.963 -14.361 -9.560 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.264 -14.933 -6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.290 -15.988 -7.922 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.286 -15.719 -10.810 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.739 -16.430 -10.100 1.00 0.00 H new ATOM 1173 N ILE A 86 0.035 -9.627 -7.654 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.892 -8.773 -8.385 1.00 0.00 C ATOM 1175 C ILE A 86 -1.557 -9.534 -9.527 1.00 0.00 C ATOM 1176 O ILE A 86 -0.898 -9.936 -10.485 1.00 0.00 O ATOM 1177 CB ILE A 86 -0.181 -7.532 -8.957 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.394 -6.679 -7.824 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -1.143 -6.714 -9.805 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.358 -5.614 -8.298 1.00 0.00 C ATOM 0 H ILE A 86 1.014 -9.509 -7.915 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.653 -8.452 -7.674 1.00 0.00 H new ATOM 0 HB ILE A 86 0.641 -7.863 -9.591 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.426 -6.202 -7.287 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.904 -7.329 -7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.626 -5.841 -10.202 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.510 -7.324 -10.630 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.984 -6.390 -9.191 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.725 -5.049 -7.442 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.198 -6.085 -8.809 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.846 -4.940 -8.985 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.868 -9.726 -9.418 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.623 -10.438 -10.442 1.00 0.00 C ATOM 1194 C GLN A 87 -4.264 -9.462 -11.423 1.00 0.00 C ATOM 1195 O GLN A 87 -4.231 -9.674 -12.634 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.700 -11.311 -9.796 1.00 0.00 C ATOM 1197 CG GLN A 87 -4.144 -12.360 -8.846 1.00 0.00 C ATOM 1198 CD GLN A 87 -5.210 -13.311 -8.339 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -6.145 -12.904 -7.650 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -5.074 -14.588 -8.679 1.00 0.00 N ATOM 0 H GLN A 87 -3.429 -9.399 -8.631 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.930 -11.075 -10.992 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.396 -10.672 -9.252 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.271 -11.809 -10.580 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.366 -12.930 -9.355 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.672 -11.863 -7.998 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.283 -14.882 -9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.761 -15.275 -8.367 1.00 0.00 H new ATOM 1209 N GLU A 88 -4.847 -8.392 -10.890 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.497 -7.384 -11.720 1.00 0.00 C ATOM 1211 C GLU A 88 -5.217 -5.981 -11.191 1.00 0.00 C ATOM 1212 O GLU A 88 -4.614 -5.813 -10.131 1.00 0.00 O ATOM 1213 CB GLU A 88 -7.006 -7.630 -11.772 1.00 0.00 C ATOM 1214 CG GLU A 88 -7.426 -8.616 -12.849 1.00 0.00 C ATOM 1215 CD GLU A 88 -7.112 -8.121 -14.248 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -7.619 -7.044 -14.624 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -6.358 -8.812 -14.966 1.00 0.00 O ATOM 0 H GLU A 88 -4.882 -8.201 -9.889 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.089 -7.462 -12.728 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.339 -8.001 -10.802 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.515 -6.681 -11.942 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.921 -9.567 -12.682 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.496 -8.805 -12.766 1.00 0.00 H new ATOM 1224 N THR A 89 -5.659 -4.974 -11.938 1.00 0.00 N ATOM 1225 CA THR A 89 -5.456 -3.585 -11.547 1.00 0.00 C ATOM 1226 C THR A 89 -6.643 -2.720 -11.952 1.00 0.00 C ATOM 1227 O THR A 89 -6.926 -2.554 -13.139 1.00 0.00 O ATOM 1228 CB THR A 89 -4.174 -3.006 -12.176 1.00 0.00 C ATOM 1229 OG1 THR A 89 -3.044 -3.804 -11.809 1.00 0.00 O ATOM 1230 CG2 THR A 89 -3.953 -1.569 -11.728 1.00 0.00 C ATOM 0 H THR A 89 -6.160 -5.095 -12.818 1.00 0.00 H new ATOM 0 HA THR A 89 -5.356 -3.574 -10.462 1.00 0.00 H new ATOM 0 HB THR A 89 -4.290 -3.019 -13.260 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.547 -3.357 -11.092 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.042 -1.181 -12.185 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.801 -0.958 -12.035 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.857 -1.537 -10.643 1.00 0.00 H new ATOM 1238 N CYS A 90 -7.335 -2.170 -10.960 1.00 0.00 N ATOM 1239 CA CYS A 90 -8.493 -1.321 -11.214 1.00 0.00 C ATOM 1240 C CYS A 90 -8.272 0.081 -10.656 1.00 0.00 C ATOM 1241 O CYS A 90 -8.148 0.267 -9.446 1.00 0.00 O ATOM 1242 CB CYS A 90 -9.749 -1.937 -10.595 1.00 0.00 C ATOM 1243 SG CYS A 90 -10.441 -3.311 -11.545 1.00 0.00 S ATOM 0 H CYS A 90 -7.114 -2.297 -9.972 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.628 -1.246 -12.293 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.512 -2.287 -9.590 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.508 -1.162 -10.492 1.00 0.00 H new ATOM 0 HG CYS A 90 -11.498 -3.767 -10.941 1.00 0.00 H new ATOM 1249 N GLY A 91 -8.223 1.067 -11.547 1.00 0.00 N ATOM 1250 CA GLY A 91 -8.015 2.439 -11.125 1.00 0.00 C ATOM 1251 C GLY A 91 -6.811 2.591 -10.217 1.00 0.00 C ATOM 1252 O GLY A 91 -5.708 2.167 -10.562 1.00 0.00 O ATOM 0 H GLY A 91 -8.324 0.939 -12.554 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.885 3.070 -12.004 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.905 2.795 -10.606 1.00 0.00 H new ATOM 1256 N ASP A 92 -7.021 3.198 -9.055 1.00 0.00 N ATOM 1257 CA ASP A 92 -5.943 3.405 -8.094 1.00 0.00 C ATOM 1258 C ASP A 92 -5.939 2.305 -7.037 1.00 0.00 C ATOM 1259 O ASP A 92 -5.680 2.563 -5.861 1.00 0.00 O ATOM 1260 CB ASP A 92 -6.083 4.773 -7.425 1.00 0.00 C ATOM 1261 CG ASP A 92 -5.454 5.884 -8.242 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -5.675 5.915 -9.471 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -4.739 6.722 -7.653 1.00 0.00 O ATOM 0 H ASP A 92 -7.928 3.556 -8.755 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.996 3.369 -8.633 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.140 4.993 -7.271 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.617 4.742 -6.440 1.00 0.00 H new ATOM 1268 N TRP A 93 -6.230 1.081 -7.462 1.00 0.00 N ATOM 1269 CA TRP A 93 -6.261 -0.057 -6.551 1.00 0.00 C ATOM 1270 C TRP A 93 -5.967 -1.356 -7.293 1.00 0.00 C ATOM 1271 O TRP A 93 -6.472 -1.582 -8.393 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.622 -0.147 -5.860 1.00 0.00 C ATOM 1273 CG TRP A 93 -8.012 1.115 -5.150 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -8.372 2.300 -5.724 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -8.080 1.315 -3.734 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.659 3.226 -4.750 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.488 2.646 -3.521 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.838 0.499 -2.626 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.657 3.178 -2.245 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -8.006 1.028 -1.360 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.413 2.356 -1.178 1.00 0.00 C ATOM 0 H TRP A 93 -6.448 0.851 -8.432 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.488 0.092 -5.797 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.383 -0.388 -6.602 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.604 -0.968 -5.143 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.424 2.483 -6.787 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.952 4.189 -4.915 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.525 -0.527 -2.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.969 4.202 -2.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -7.820 0.407 -0.496 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.537 2.739 -0.176 1.00 0.00 H new ATOM 1292 N TYR A 94 -5.148 -2.207 -6.685 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.785 -3.483 -7.290 1.00 0.00 C ATOM 1294 C TYR A 94 -5.706 -4.598 -6.802 1.00 0.00 C ATOM 1295 O TYR A 94 -6.544 -4.388 -5.926 1.00 0.00 O ATOM 1296 CB TYR A 94 -3.331 -3.830 -6.967 1.00 0.00 C ATOM 1297 CG TYR A 94 -2.327 -3.039 -7.774 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -2.499 -2.847 -9.140 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -1.206 -2.482 -7.171 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -1.584 -2.126 -9.881 1.00 0.00 C ATOM 1301 CE2 TYR A 94 -0.286 -1.757 -7.905 1.00 0.00 C ATOM 1302 CZ TYR A 94 -0.479 -1.583 -9.259 1.00 0.00 C ATOM 1303 OH TYR A 94 0.435 -0.862 -9.994 1.00 0.00 O ATOM 0 H TYR A 94 -4.723 -2.036 -5.774 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.897 -3.389 -8.370 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.151 -3.655 -5.906 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.172 -4.893 -7.146 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.364 -3.269 -9.630 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.051 -2.618 -6.111 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.733 -1.988 -10.942 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.579 -1.329 -7.420 1.00 0.00 H new ATOM 0 HH TYR A 94 1.153 -0.548 -9.406 1.00 0.00 H new ATOM 1313 N ARG A 95 -5.542 -5.785 -7.377 1.00 0.00 N ATOM 1314 CA ARG A 95 -6.357 -6.934 -7.003 1.00 0.00 C ATOM 1315 C ARG A 95 -5.496 -8.185 -6.848 1.00 0.00 C ATOM 1316 O ARG A 95 -4.998 -8.733 -7.830 1.00 0.00 O ATOM 1317 CB ARG A 95 -7.445 -7.178 -8.050 1.00 0.00 C ATOM 1318 CG ARG A 95 -8.700 -7.825 -7.486 1.00 0.00 C ATOM 1319 CD ARG A 95 -8.610 -9.342 -7.525 1.00 0.00 C ATOM 1320 NE ARG A 95 -8.462 -9.847 -8.888 1.00 0.00 N ATOM 1321 CZ ARG A 95 -8.811 -11.074 -9.259 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -9.326 -11.916 -8.375 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -8.645 -11.459 -10.518 1.00 0.00 N ATOM 0 H ARG A 95 -4.852 -5.976 -8.104 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.827 -6.716 -6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.713 -6.228 -8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.042 -7.813 -8.839 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.851 -7.495 -6.458 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.568 -7.496 -8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.763 -9.670 -6.923 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.506 -9.770 -7.075 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.069 -9.223 -9.593 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.455 -11.623 -7.407 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.593 -12.857 -8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.249 -10.813 -11.201 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.913 -12.401 -10.803 1.00 0.00 H new ATOM 1337 N GLY A 96 -5.326 -8.630 -5.606 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.524 -9.811 -5.346 1.00 0.00 C ATOM 1339 C GLY A 96 -4.681 -10.316 -3.925 1.00 0.00 C ATOM 1340 O GLY A 96 -5.751 -10.191 -3.329 1.00 0.00 O ATOM 0 H GLY A 96 -5.729 -8.194 -4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.808 -10.600 -6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.475 -9.583 -5.534 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.613 -10.890 -3.382 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.638 -11.419 -2.023 1.00 0.00 C ATOM 1346 C TYR A 97 -2.228 -11.508 -1.447 1.00 0.00 C ATOM 1347 O TYR A 97 -1.241 -11.493 -2.184 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.296 -12.800 -2.004 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.560 -13.833 -2.826 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.290 -14.264 -2.461 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -4.134 -14.379 -3.968 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.614 -15.207 -3.210 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.465 -15.324 -4.721 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.205 -15.735 -4.339 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.535 -16.675 -5.087 1.00 0.00 O ATOM 0 H TYR A 97 -2.720 -11.001 -3.862 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.221 -10.736 -1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.361 -13.148 -0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.317 -12.712 -2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.824 -13.855 -1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.120 -14.059 -4.272 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.627 -15.530 -2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.926 -15.739 -5.605 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.091 -16.945 -5.848 1.00 0.00 H new ATOM 1365 N LEU A 98 -2.142 -11.600 -0.125 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.853 -11.692 0.553 1.00 0.00 C ATOM 1367 C LEU A 98 -0.198 -13.045 0.296 1.00 0.00 C ATOM 1368 O LEU A 98 -0.714 -14.084 0.710 1.00 0.00 O ATOM 1369 CB LEU A 98 -1.029 -11.475 2.057 1.00 0.00 C ATOM 1370 CG LEU A 98 0.258 -11.385 2.877 1.00 0.00 C ATOM 1371 CD1 LEU A 98 1.220 -10.385 2.254 1.00 0.00 C ATOM 1372 CD2 LEU A 98 -0.052 -11.003 4.317 1.00 0.00 C ATOM 0 H LEU A 98 -2.949 -11.613 0.499 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.204 -10.913 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.597 -10.557 2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.632 -12.292 2.453 1.00 0.00 H new ATOM 0 HG LEU A 98 0.735 -12.365 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.130 -10.335 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.468 -10.701 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.752 -9.401 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.876 -10.944 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.552 -10.035 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.702 -11.757 4.761 1.00 0.00 H new ATOM 1384 N ILE A 99 0.942 -13.025 -0.386 1.00 0.00 N ATOM 1385 CA ILE A 99 1.669 -14.251 -0.694 1.00 0.00 C ATOM 1386 C ILE A 99 2.019 -15.017 0.577 1.00 0.00 C ATOM 1387 O ILE A 99 1.678 -16.190 0.722 1.00 0.00 O ATOM 1388 CB ILE A 99 2.963 -13.956 -1.475 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.648 -13.165 -2.747 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.682 -15.252 -1.817 1.00 0.00 C ATOM 1391 CD1 ILE A 99 3.881 -12.679 -3.477 1.00 0.00 C ATOM 0 H ILE A 99 1.382 -12.174 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 99 1.011 -14.861 -1.313 1.00 0.00 H new ATOM 0 HB ILE A 99 3.619 -13.353 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.061 -13.791 -3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.027 -12.307 -2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.595 -15.027 -2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.935 -15.781 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.033 -15.878 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.582 -12.127 -4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.458 -12.026 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.492 -13.533 -3.768 1.00 0.00 H new ATOM 1403 N LYS A 100 2.702 -14.344 1.498 1.00 0.00 N ATOM 1404 CA LYS A 100 3.096 -14.959 2.759 1.00 0.00 C ATOM 1405 C LYS A 100 1.894 -15.583 3.460 1.00 0.00 C ATOM 1406 O LYS A 100 2.038 -16.524 4.242 1.00 0.00 O ATOM 1407 CB LYS A 100 3.750 -13.920 3.674 1.00 0.00 C ATOM 1408 CG LYS A 100 2.935 -12.648 3.830 1.00 0.00 C ATOM 1409 CD LYS A 100 3.676 -11.608 4.654 1.00 0.00 C ATOM 1410 CE LYS A 100 3.721 -11.992 6.125 1.00 0.00 C ATOM 1411 NZ LYS A 100 4.855 -11.338 6.834 1.00 0.00 N ATOM 0 H LYS A 100 2.994 -13.372 1.394 1.00 0.00 H new ATOM 0 HA LYS A 100 3.816 -15.747 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.909 -14.363 4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.733 -13.666 3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.706 -12.238 2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.983 -12.881 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.692 -11.498 4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.188 -10.640 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.783 -11.710 6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.812 -13.074 6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.851 -11.625 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.752 -11.627 6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.755 -10.305 6.770 1.00 0.00 H new ATOM 1425 N HIS A 101 0.708 -15.055 3.174 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.520 -15.563 3.776 1.00 0.00 C ATOM 1427 C HIS A 101 -1.679 -15.493 2.786 1.00 0.00 C ATOM 1428 O HIS A 101 -2.217 -14.418 2.518 1.00 0.00 O ATOM 1429 CB HIS A 101 -0.862 -14.768 5.036 1.00 0.00 C ATOM 1430 CG HIS A 101 -0.159 -15.260 6.264 1.00 0.00 C ATOM 1431 ND1 HIS A 101 -0.644 -16.285 7.049 1.00 0.00 N ATOM 1432 CD2 HIS A 101 1.001 -14.864 6.839 1.00 0.00 C ATOM 1433 CE1 HIS A 101 0.186 -16.496 8.055 1.00 0.00 C ATOM 1434 NE2 HIS A 101 1.192 -15.647 7.951 1.00 0.00 N ATOM 0 H HIS A 101 0.571 -14.276 2.530 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.358 -16.606 4.047 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.606 -13.721 4.876 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.938 -14.811 5.202 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.654 -14.079 6.489 1.00 0.00 H new ATOM 0 HE1 HIS A 101 0.063 -17.237 8.831 1.00 0.00 H new ATOM 0 HE2 HIS A 101 1.983 -15.583 8.592 1.00 0.00 H new ATOM 1443 N LYS A 102 -2.058 -16.645 2.244 1.00 0.00 N ATOM 1444 CA LYS A 102 -3.154 -16.716 1.285 1.00 0.00 C ATOM 1445 C LYS A 102 -4.500 -16.783 1.999 1.00 0.00 C ATOM 1446 O LYS A 102 -5.450 -17.383 1.497 1.00 0.00 O ATOM 1447 CB LYS A 102 -2.985 -17.936 0.376 1.00 0.00 C ATOM 1448 CG LYS A 102 -2.129 -17.668 -0.850 1.00 0.00 C ATOM 1449 CD LYS A 102 -2.220 -18.806 -1.853 1.00 0.00 C ATOM 1450 CE LYS A 102 -1.143 -19.852 -1.608 1.00 0.00 C ATOM 1451 NZ LYS A 102 -1.055 -20.830 -2.727 1.00 0.00 N ATOM 0 H LYS A 102 -1.622 -17.543 2.453 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.131 -15.811 0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.538 -18.747 0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.969 -18.278 0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.449 -16.739 -1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.091 -17.531 -0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.203 -19.272 -1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.121 -18.410 -2.864 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.180 -19.358 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -1.355 -20.381 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.310 -21.526 -2.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.966 -21.320 -2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.827 -20.329 -3.609 1.00 0.00 H new ATOM 1465 N MET A 103 -4.573 -16.164 3.172 1.00 0.00 N ATOM 1466 CA MET A 103 -5.805 -16.152 3.954 1.00 0.00 C ATOM 1467 C MET A 103 -6.460 -14.775 3.914 1.00 0.00 C ATOM 1468 O MET A 103 -7.646 -14.632 4.214 1.00 0.00 O ATOM 1469 CB MET A 103 -5.519 -16.552 5.402 1.00 0.00 C ATOM 1470 CG MET A 103 -4.575 -15.601 6.120 1.00 0.00 C ATOM 1471 SD MET A 103 -4.801 -15.616 7.909 1.00 0.00 S ATOM 1472 CE MET A 103 -6.122 -14.421 8.094 1.00 0.00 C ATOM 0 H MET A 103 -3.795 -15.664 3.602 1.00 0.00 H new ATOM 0 HA MET A 103 -6.492 -16.875 3.515 1.00 0.00 H new ATOM 0 HB2 MET A 103 -6.460 -16.599 5.950 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.091 -17.555 5.416 1.00 0.00 H new ATOM 0 HG2 MET A 103 -3.545 -15.872 5.886 1.00 0.00 H new ATOM 0 HG3 MET A 103 -4.732 -14.589 5.746 1.00 0.00 H new ATOM 0 HE1 MET A 103 -6.713 -14.666 8.976 1.00 0.00 H new ATOM 0 HE2 MET A 103 -5.697 -13.424 8.208 1.00 0.00 H new ATOM 0 HE3 MET A 103 -6.761 -14.445 7.211 1.00 0.00 H new ATOM 1482 N LEU A 104 -5.682 -13.764 3.543 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.187 -12.398 3.465 1.00 0.00 C ATOM 1484 C LEU A 104 -6.238 -11.919 2.018 1.00 0.00 C ATOM 1485 O LEU A 104 -5.218 -11.536 1.445 1.00 0.00 O ATOM 1486 CB LEU A 104 -5.308 -11.460 4.294 1.00 0.00 C ATOM 1487 CG LEU A 104 -4.830 -12.004 5.641 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -3.449 -12.626 5.505 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -4.819 -10.901 6.689 1.00 0.00 C ATOM 0 H LEU A 104 -4.699 -13.865 3.291 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.200 -12.387 3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.433 -11.195 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.862 -10.539 4.473 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.525 -12.778 5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.125 -13.008 6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.488 -13.445 4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.743 -11.872 5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.476 -11.307 7.641 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.147 -10.104 6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.826 -10.501 6.807 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.431 -11.941 1.434 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.615 -11.507 0.054 1.00 0.00 C ATOM 1503 C GLN A 105 -8.502 -10.268 -0.014 1.00 0.00 C ATOM 1504 O GLN A 105 -9.393 -10.084 0.814 1.00 0.00 O ATOM 1505 CB GLN A 105 -8.227 -12.633 -0.780 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.478 -13.951 -0.666 1.00 0.00 C ATOM 1507 CD GLN A 105 -8.259 -15.118 -1.237 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -9.142 -15.670 -0.580 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -7.938 -15.499 -2.468 1.00 0.00 N ATOM 0 H GLN A 105 -8.285 -12.255 1.895 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.636 -11.253 -0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.261 -12.784 -0.469 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.251 -12.327 -1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.524 -13.868 -1.186 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.254 -14.147 0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.199 -15.013 -2.976 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.430 -16.278 -2.905 1.00 0.00 H new ATOM 1518 N GLY A 106 -8.251 -9.420 -1.007 1.00 0.00 N ATOM 1519 CA GLY A 106 -9.035 -8.209 -1.164 1.00 0.00 C ATOM 1520 C GLY A 106 -8.410 -7.236 -2.144 1.00 0.00 C ATOM 1521 O GLY A 106 -7.856 -7.644 -3.165 1.00 0.00 O ATOM 0 H GLY A 106 -7.519 -9.550 -1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.037 -8.470 -1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -9.145 -7.723 -0.195 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.499 -5.947 -1.834 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.938 -4.914 -2.695 1.00 0.00 C ATOM 1527 C ILE A 107 -7.098 -3.926 -1.893 1.00 0.00 C ATOM 1528 O ILE A 107 -7.188 -3.870 -0.667 1.00 0.00 O ATOM 1529 CB ILE A 107 -9.042 -4.143 -3.443 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -10.050 -3.562 -2.450 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -9.739 -5.054 -4.443 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.929 -2.483 -3.044 1.00 0.00 C ATOM 0 H ILE A 107 -8.954 -5.593 -0.993 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.303 -5.420 -3.422 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.584 -3.319 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.681 -4.367 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.511 -3.152 -1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.517 -4.495 -4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -9.012 -5.424 -5.166 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -10.188 -5.896 -3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.619 -2.117 -2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.307 -1.660 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.495 -2.894 -3.880 1.00 0.00 H new ATOM 1544 N PHE A 108 -6.281 -3.146 -2.594 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.425 -2.159 -1.948 1.00 0.00 C ATOM 1546 C PHE A 108 -4.962 -1.103 -2.948 1.00 0.00 C ATOM 1547 O PHE A 108 -4.983 -1.309 -4.161 1.00 0.00 O ATOM 1548 CB PHE A 108 -4.212 -2.842 -1.313 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.715 -4.026 -2.091 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -2.820 -3.860 -3.136 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -4.143 -5.307 -1.779 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -2.361 -4.947 -3.854 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -3.687 -6.398 -2.493 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.796 -6.218 -3.533 1.00 0.00 C ATOM 0 H PHE A 108 -6.194 -3.179 -3.610 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.006 -1.666 -1.168 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.405 -2.116 -1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.473 -3.163 -0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.477 -2.868 -3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.841 -5.454 -0.968 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -1.663 -4.803 -4.665 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.027 -7.391 -2.238 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.440 -7.069 -4.094 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.535 0.057 -2.427 1.00 0.00 N ATOM 1565 CA PRO A 109 -4.059 1.169 -3.255 1.00 0.00 C ATOM 1566 C PRO A 109 -2.723 0.864 -3.923 1.00 0.00 C ATOM 1567 O PRO A 109 -1.704 0.701 -3.252 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.906 2.317 -2.254 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.688 1.648 -0.941 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.483 0.372 -0.989 1.00 0.00 C ATOM 0 HA PRO A 109 -4.743 1.388 -4.075 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -3.066 2.960 -2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.796 2.947 -2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.630 1.443 -0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -4.019 2.283 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -4.001 -0.423 -0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.481 0.504 -0.570 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.734 0.788 -5.250 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.522 0.504 -6.010 1.00 0.00 C ATOM 1580 C LYS A 110 -0.404 1.470 -5.632 1.00 0.00 C ATOM 1581 O LYS A 110 0.769 1.096 -5.605 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.805 0.597 -7.511 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.501 1.883 -7.921 1.00 0.00 C ATOM 1584 CD LYS A 110 -2.673 1.968 -9.428 1.00 0.00 C ATOM 1585 CE LYS A 110 -1.373 2.350 -10.118 1.00 0.00 C ATOM 1586 NZ LYS A 110 -1.609 2.903 -11.481 1.00 0.00 N ATOM 0 H LYS A 110 -3.569 0.919 -5.821 1.00 0.00 H new ATOM 0 HA LYS A 110 -1.200 -0.509 -5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.864 0.514 -8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.422 -0.251 -7.809 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.477 1.939 -7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.923 2.738 -7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.020 1.008 -9.810 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.442 2.703 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.844 3.087 -9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.728 1.474 -10.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.698 3.151 -11.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.091 2.191 -12.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.203 3.754 -11.412 1.00 0.00 H new ATOM 1600 N SER A 111 -0.774 2.712 -5.339 1.00 0.00 N ATOM 1601 CA SER A 111 0.199 3.732 -4.965 1.00 0.00 C ATOM 1602 C SER A 111 1.008 3.290 -3.749 1.00 0.00 C ATOM 1603 O SER A 111 2.046 3.873 -3.434 1.00 0.00 O ATOM 1604 CB SER A 111 -0.507 5.056 -4.667 1.00 0.00 C ATOM 1605 OG SER A 111 -1.452 4.906 -3.622 1.00 0.00 O ATOM 0 H SER A 111 -1.741 3.037 -5.353 1.00 0.00 H new ATOM 0 HA SER A 111 0.881 3.873 -5.803 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.230 5.810 -4.390 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.008 5.415 -5.566 1.00 0.00 H new ATOM 0 HG SER A 111 -1.888 5.766 -3.449 1.00 0.00 H new ATOM 1611 N PHE A 112 0.526 2.254 -3.070 1.00 0.00 N ATOM 1612 CA PHE A 112 1.203 1.733 -1.888 1.00 0.00 C ATOM 1613 C PHE A 112 2.046 0.511 -2.239 1.00 0.00 C ATOM 1614 O PHE A 112 2.881 0.073 -1.447 1.00 0.00 O ATOM 1615 CB PHE A 112 0.181 1.369 -0.808 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.216 2.531 0.057 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -0.670 3.711 -0.511 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.137 2.443 1.437 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.036 4.782 0.283 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.502 3.510 2.236 1.00 0.00 C ATOM 1621 CZ PHE A 112 -0.953 4.681 1.658 1.00 0.00 C ATOM 0 H PHE A 112 -0.331 1.759 -3.318 1.00 0.00 H new ATOM 0 HA PHE A 112 1.864 2.511 -1.506 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.710 0.960 -1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.595 0.582 -0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.739 3.795 -1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.214 1.530 1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.387 5.697 -0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.435 3.429 3.311 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.240 5.516 2.280 1.00 0.00 H new ATOM 1631 N ILE A 113 1.821 -0.033 -3.430 1.00 0.00 N ATOM 1632 CA ILE A 113 2.561 -1.204 -3.885 1.00 0.00 C ATOM 1633 C ILE A 113 3.679 -0.809 -4.844 1.00 0.00 C ATOM 1634 O ILE A 113 3.443 -0.129 -5.843 1.00 0.00 O ATOM 1635 CB ILE A 113 1.635 -2.217 -4.584 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.472 -2.596 -3.665 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.418 -3.456 -4.994 1.00 0.00 C ATOM 1638 CD1 ILE A 113 0.905 -3.323 -2.410 1.00 0.00 C ATOM 0 H ILE A 113 1.133 0.318 -4.097 1.00 0.00 H new ATOM 0 HA ILE A 113 2.993 -1.669 -2.999 1.00 0.00 H new ATOM 0 HB ILE A 113 1.228 -1.754 -5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.068 -1.692 -3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.226 -3.225 -4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.750 -4.162 -5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.215 -3.172 -5.681 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.850 -3.923 -4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.029 -3.560 -1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.419 -4.245 -2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.580 -2.688 -1.836 1.00 0.00 H new ATOM 1650 N HIS A 114 4.897 -1.242 -4.535 1.00 0.00 N ATOM 1651 CA HIS A 114 6.052 -0.936 -5.371 1.00 0.00 C ATOM 1652 C HIS A 114 6.328 -2.070 -6.353 1.00 0.00 C ATOM 1653 O HIS A 114 6.748 -3.158 -5.957 1.00 0.00 O ATOM 1654 CB HIS A 114 7.285 -0.686 -4.502 1.00 0.00 C ATOM 1655 CG HIS A 114 8.474 -0.203 -5.273 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.445 0.918 -6.076 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.733 -0.693 -5.361 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.633 1.095 -6.625 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.433 0.131 -6.207 1.00 0.00 N ATOM 0 H HIS A 114 5.110 -1.806 -3.712 1.00 0.00 H new ATOM 0 HA HIS A 114 5.829 -0.033 -5.940 1.00 0.00 H new ATOM 0 HB2 HIS A 114 7.036 0.049 -3.736 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.548 -1.609 -3.985 1.00 0.00 H new ATOM 0 HD2 HIS A 114 10.116 -1.569 -4.859 1.00 0.00 H new ATOM 0 HE1 HIS A 114 9.904 1.893 -7.301 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.412 0.017 -6.470 1.00 0.00 H new ATOM 1668 N ILE A 115 6.089 -1.809 -7.633 1.00 0.00 N ATOM 1669 CA ILE A 115 6.312 -2.808 -8.671 1.00 0.00 C ATOM 1670 C ILE A 115 7.800 -2.983 -8.955 1.00 0.00 C ATOM 1671 O ILE A 115 8.435 -2.117 -9.557 1.00 0.00 O ATOM 1672 CB ILE A 115 5.593 -2.431 -9.980 1.00 0.00 C ATOM 1673 CG1 ILE A 115 4.081 -2.358 -9.753 1.00 0.00 C ATOM 1674 CG2 ILE A 115 5.921 -3.436 -11.073 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.511 -3.585 -9.077 1.00 0.00 C ATOM 0 H ILE A 115 5.741 -0.914 -7.977 1.00 0.00 H new ATOM 0 HA ILE A 115 5.902 -3.747 -8.298 1.00 0.00 H new ATOM 0 HB ILE A 115 5.942 -1.449 -10.300 1.00 0.00 H new ATOM 0 HG12 ILE A 115 3.855 -1.481 -9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.584 -2.218 -10.713 1.00 0.00 H new ATOM 0 HG21 ILE A 115 5.405 -3.156 -11.992 1.00 0.00 H new ATOM 0 HG22 ILE A 115 6.997 -3.444 -11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 115 5.596 -4.429 -10.763 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.435 -3.463 -8.948 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.706 -4.463 -9.693 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.981 -3.714 -8.102 1.00 0.00 H new ATOM 1687 N LYS A 116 8.351 -4.110 -8.517 1.00 0.00 N ATOM 1688 CA LYS A 116 9.765 -4.402 -8.726 1.00 0.00 C ATOM 1689 C LYS A 116 10.004 -4.960 -10.126 1.00 0.00 C ATOM 1690 O LYS A 116 9.922 -6.168 -10.344 1.00 0.00 O ATOM 1691 CB LYS A 116 10.261 -5.399 -7.677 1.00 0.00 C ATOM 1692 CG LYS A 116 10.186 -4.872 -6.254 1.00 0.00 C ATOM 1693 CD LYS A 116 10.679 -5.902 -5.251 1.00 0.00 C ATOM 1694 CE LYS A 116 12.197 -5.910 -5.161 1.00 0.00 C ATOM 1695 NZ LYS A 116 12.820 -6.567 -6.344 1.00 0.00 N ATOM 0 H LYS A 116 7.840 -4.836 -8.015 1.00 0.00 H new ATOM 0 HA LYS A 116 10.322 -3.470 -8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.671 -6.313 -7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.293 -5.667 -7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.784 -3.965 -6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.157 -4.598 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.256 -5.687 -4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.325 -6.892 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.561 -4.886 -5.081 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.504 -6.430 -4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.647 -7.119 -6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.128 -7.199 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 13.121 -5.841 -7.026 1.00 0.00 H new