USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=12 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= -5.86! C(o=-5.9!,f=-7.6!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.6!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.017) 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= 0.484 USER MOD Single : A 79 GLN : amide:sc= -0.198 K(o=-0.2,f=-2!) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.00076) USER MOD Single : A 89 THR OG1 : rot -115:sc= 0.794 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= -0.0374 X(o=-0.037,f=-0.00099) USER MOD Single : A 102 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.162) USER MOD Single : A 103 MET CE :methyl 173:sc= -1.36 (180deg=-1.84) USER MOD Single : A 105 GLN : amide:sc= -0.0232 K(o=-0.023,f=-1.4!) USER MOD Single : A 110 LYS NZ :NH3+ -163:sc= 1.21 (180deg=1.1) USER MOD Single : A 111 SER OG : rot -17:sc= 0.384 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 116 LYS NZ :NH3+ 163:sc=-0.00716 (180deg=-0.441) USER MOD ----------------------------------------------------------------- ATOM 781 N ARG A 60 2.085 -10.156 -11.323 1.00 0.00 N ATOM 782 CA ARG A 60 3.148 -9.171 -11.164 1.00 0.00 C ATOM 783 C ARG A 60 3.660 -9.152 -9.726 1.00 0.00 C ATOM 784 O ARG A 60 2.893 -9.333 -8.780 1.00 0.00 O ATOM 785 CB ARG A 60 2.645 -7.780 -11.555 1.00 0.00 C ATOM 786 CG ARG A 60 3.741 -6.855 -12.058 1.00 0.00 C ATOM 787 CD ARG A 60 3.165 -5.661 -12.803 1.00 0.00 C ATOM 788 NE ARG A 60 2.729 -6.015 -14.151 1.00 0.00 N ATOM 789 CZ ARG A 60 2.524 -5.124 -15.114 1.00 0.00 C ATOM 790 NH1 ARG A 60 2.714 -3.833 -14.880 1.00 0.00 N ATOM 791 NH2 ARG A 60 2.127 -5.524 -16.316 1.00 0.00 N ATOM 0 HA ARG A 60 3.971 -9.451 -11.822 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.884 -7.882 -12.329 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.162 -7.322 -10.692 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.339 -6.506 -11.216 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.411 -7.408 -12.717 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.321 -5.257 -12.243 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.916 -4.873 -12.860 1.00 0.00 H new ATOM 0 HE ARG A 60 2.573 -7.000 -14.364 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.019 -3.521 -13.958 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.556 -3.151 -15.622 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.979 -6.516 -16.500 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.970 -4.839 -17.055 1.00 0.00 H new ATOM 805 N HIS A 61 4.962 -8.932 -9.571 1.00 0.00 N ATOM 806 CA HIS A 61 5.577 -8.890 -8.249 1.00 0.00 C ATOM 807 C HIS A 61 5.608 -7.463 -7.710 1.00 0.00 C ATOM 808 O HIS A 61 6.084 -6.546 -8.378 1.00 0.00 O ATOM 809 CB HIS A 61 6.996 -9.456 -8.305 1.00 0.00 C ATOM 810 CG HIS A 61 7.432 -10.107 -7.029 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.594 -9.767 -6.369 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.854 -11.083 -6.290 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.712 -10.506 -5.280 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.669 -11.312 -5.209 1.00 0.00 N ATOM 0 H HIS A 61 5.611 -8.780 -10.343 1.00 0.00 H new ATOM 0 HA HIS A 61 4.976 -9.502 -7.576 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.056 -10.184 -9.114 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.690 -8.651 -8.548 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.925 -11.588 -6.510 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.524 -10.459 -4.569 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.496 -11.994 -4.471 1.00 0.00 H new ATOM 823 N GLY A 62 5.095 -7.283 -6.496 1.00 0.00 N ATOM 824 CA GLY A 62 5.073 -5.965 -5.888 1.00 0.00 C ATOM 825 C GLY A 62 5.517 -5.987 -4.439 1.00 0.00 C ATOM 826 O GLY A 62 5.688 -7.055 -3.851 1.00 0.00 O ATOM 0 H GLY A 62 4.695 -8.026 -5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.722 -5.297 -6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.064 -5.557 -5.949 1.00 0.00 H new ATOM 830 N VAL A 63 5.707 -4.805 -3.862 1.00 0.00 N ATOM 831 CA VAL A 63 6.135 -4.693 -2.473 1.00 0.00 C ATOM 832 C VAL A 63 5.488 -3.491 -1.794 1.00 0.00 C ATOM 833 O VAL A 63 5.519 -2.378 -2.318 1.00 0.00 O ATOM 834 CB VAL A 63 7.666 -4.566 -2.366 1.00 0.00 C ATOM 835 CG1 VAL A 63 8.062 -4.005 -1.009 1.00 0.00 C ATOM 836 CG2 VAL A 63 8.330 -5.913 -2.609 1.00 0.00 C ATOM 0 H VAL A 63 5.571 -3.912 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 63 5.817 -5.606 -1.969 1.00 0.00 H new ATOM 0 HB VAL A 63 8.010 -3.873 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.147 -3.923 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.616 -3.019 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.707 -4.671 -0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.412 -5.805 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.981 -6.630 -1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.073 -6.271 -3.606 1.00 0.00 H new ATOM 846 N ALA A 64 4.901 -3.724 -0.624 1.00 0.00 N ATOM 847 CA ALA A 64 4.249 -2.660 0.128 1.00 0.00 C ATOM 848 C ALA A 64 5.272 -1.686 0.703 1.00 0.00 C ATOM 849 O ALA A 64 6.219 -2.092 1.377 1.00 0.00 O ATOM 850 CB ALA A 64 3.395 -3.248 1.242 1.00 0.00 C ATOM 0 H ALA A 64 4.864 -4.640 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 64 3.605 -2.108 -0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.914 -2.442 1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.633 -3.898 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.026 -3.826 1.917 1.00 0.00 H new ATOM 856 N ILE A 65 5.076 -0.400 0.431 1.00 0.00 N ATOM 857 CA ILE A 65 5.983 0.631 0.921 1.00 0.00 C ATOM 858 C ILE A 65 5.339 1.440 2.042 1.00 0.00 C ATOM 859 O ILE A 65 6.020 1.902 2.958 1.00 0.00 O ATOM 860 CB ILE A 65 6.411 1.587 -0.207 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.189 2.292 -0.799 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.166 0.827 -1.287 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.527 3.246 -1.923 1.00 0.00 C ATOM 0 H ILE A 65 4.298 -0.047 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 65 6.865 0.119 1.305 1.00 0.00 H new ATOM 0 HB ILE A 65 7.076 2.343 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.490 1.541 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.678 2.841 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.462 1.516 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.055 0.367 -0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.523 0.052 -1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.613 3.709 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.202 4.019 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.011 2.698 -2.732 1.00 0.00 H new ATOM 875 N TYR A 66 4.024 1.608 1.963 1.00 0.00 N ATOM 876 CA TYR A 66 3.288 2.362 2.971 1.00 0.00 C ATOM 877 C TYR A 66 2.321 1.459 3.730 1.00 0.00 C ATOM 878 O TYR A 66 1.515 0.750 3.129 1.00 0.00 O ATOM 879 CB TYR A 66 2.521 3.513 2.317 1.00 0.00 C ATOM 880 CG TYR A 66 3.400 4.451 1.520 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.552 4.995 2.075 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.079 4.792 0.212 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.357 5.853 1.351 1.00 0.00 C ATOM 884 CE2 TYR A 66 3.879 5.648 -0.520 1.00 0.00 C ATOM 885 CZ TYR A 66 5.017 6.176 0.054 1.00 0.00 C ATOM 886 OH TYR A 66 5.817 7.029 -0.671 1.00 0.00 O ATOM 0 H TYR A 66 3.446 1.232 1.212 1.00 0.00 H new ATOM 0 HA TYR A 66 4.008 2.770 3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.755 3.101 1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.006 4.081 3.091 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.823 4.743 3.090 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.189 4.381 -0.240 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.248 6.269 1.798 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.615 5.902 -1.536 1.00 0.00 H new ATOM 0 HH TYR A 66 5.437 7.152 -1.566 1.00 0.00 H new ATOM 896 N ASN A 67 2.408 1.491 5.055 1.00 0.00 N ATOM 897 CA ASN A 67 1.541 0.676 5.898 1.00 0.00 C ATOM 898 C ASN A 67 0.072 0.995 5.638 1.00 0.00 C ATOM 899 O ASN A 67 -0.389 2.106 5.902 1.00 0.00 O ATOM 900 CB ASN A 67 1.871 0.903 7.375 1.00 0.00 C ATOM 901 CG ASN A 67 1.785 2.366 7.768 1.00 0.00 C ATOM 902 OD1 ASN A 67 0.695 2.922 7.901 1.00 0.00 O ATOM 903 ND2 ASN A 67 2.939 2.996 7.955 1.00 0.00 N ATOM 0 H ASN A 67 3.070 2.073 5.569 1.00 0.00 H new ATOM 0 HA ASN A 67 1.716 -0.371 5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.184 0.323 7.991 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.875 0.532 7.581 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.945 3.981 8.220 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.819 2.495 7.834 1.00 0.00 H new ATOM 910 N PHE A 68 -0.658 0.013 5.120 1.00 0.00 N ATOM 911 CA PHE A 68 -2.075 0.189 4.824 1.00 0.00 C ATOM 912 C PHE A 68 -2.939 -0.544 5.845 1.00 0.00 C ATOM 913 O PHE A 68 -2.666 -1.691 6.195 1.00 0.00 O ATOM 914 CB PHE A 68 -2.390 -0.318 3.415 1.00 0.00 C ATOM 915 CG PHE A 68 -3.841 -0.198 3.045 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.749 -1.173 3.422 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.296 0.892 2.319 1.00 0.00 C ATOM 918 CE1 PHE A 68 -6.085 -1.065 3.083 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.630 1.006 1.977 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.525 0.026 2.359 1.00 0.00 C ATOM 0 H PHE A 68 -0.292 -0.913 4.897 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.303 1.254 4.879 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.792 0.240 2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.089 -1.363 3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.410 -2.028 3.988 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.600 1.661 2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.783 -1.832 3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.972 1.860 1.412 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.568 0.113 2.092 1.00 0.00 H new ATOM 930 N GLN A 69 -3.983 0.129 6.320 1.00 0.00 N ATOM 931 CA GLN A 69 -4.887 -0.457 7.302 1.00 0.00 C ATOM 932 C GLN A 69 -6.303 -0.560 6.746 1.00 0.00 C ATOM 933 O GLN A 69 -6.924 0.447 6.411 1.00 0.00 O ATOM 934 CB GLN A 69 -4.889 0.376 8.585 1.00 0.00 C ATOM 935 CG GLN A 69 -5.731 -0.225 9.699 1.00 0.00 C ATOM 936 CD GLN A 69 -5.665 0.583 10.981 1.00 0.00 C ATOM 937 OE1 GLN A 69 -5.867 1.797 10.974 1.00 0.00 O ATOM 938 NE2 GLN A 69 -5.382 -0.090 12.090 1.00 0.00 N ATOM 0 H GLN A 69 -4.223 1.080 6.040 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.533 -1.462 7.530 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.863 0.489 8.937 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.260 1.375 8.359 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.768 -0.293 9.370 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.392 -1.242 9.897 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.222 -1.097 12.049 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.325 0.399 12.983 1.00 0.00 H new ATOM 947 N GLY A 70 -6.808 -1.787 6.650 1.00 0.00 N ATOM 948 CA GLY A 70 -8.148 -1.999 6.133 1.00 0.00 C ATOM 949 C GLY A 70 -9.116 -2.460 7.204 1.00 0.00 C ATOM 950 O GLY A 70 -8.718 -2.723 8.339 1.00 0.00 O ATOM 0 H GLY A 70 -6.313 -2.637 6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.514 -1.072 5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.113 -2.741 5.335 1.00 0.00 H new ATOM 954 N SER A 71 -10.391 -2.559 6.844 1.00 0.00 N ATOM 955 CA SER A 71 -11.421 -2.987 7.784 1.00 0.00 C ATOM 956 C SER A 71 -11.929 -4.382 7.435 1.00 0.00 C ATOM 957 O SER A 71 -12.111 -5.226 8.312 1.00 0.00 O ATOM 958 CB SER A 71 -12.584 -1.993 7.786 1.00 0.00 C ATOM 959 OG SER A 71 -12.131 -0.678 8.054 1.00 0.00 O ATOM 0 H SER A 71 -10.736 -2.349 5.908 1.00 0.00 H new ATOM 0 HA SER A 71 -10.979 -3.019 8.780 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.089 -2.017 6.820 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.317 -2.288 8.536 1.00 0.00 H new ATOM 0 HG SER A 71 -12.893 -0.062 8.048 1.00 0.00 H new ATOM 965 N GLY A 72 -12.157 -4.617 6.146 1.00 0.00 N ATOM 966 CA GLY A 72 -12.642 -5.911 5.703 1.00 0.00 C ATOM 967 C GLY A 72 -12.884 -5.957 4.207 1.00 0.00 C ATOM 968 O GLY A 72 -13.168 -4.934 3.585 1.00 0.00 O ATOM 0 H GLY A 72 -12.015 -3.935 5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.918 -6.680 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.569 -6.147 6.226 1.00 0.00 H new ATOM 972 N ALA A 73 -12.771 -7.148 3.628 1.00 0.00 N ATOM 973 CA ALA A 73 -12.980 -7.324 2.196 1.00 0.00 C ATOM 974 C ALA A 73 -14.088 -6.409 1.686 1.00 0.00 C ATOM 975 O ALA A 73 -15.007 -6.040 2.418 1.00 0.00 O ATOM 976 CB ALA A 73 -13.307 -8.777 1.885 1.00 0.00 C ATOM 0 H ALA A 73 -12.536 -8.005 4.129 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.057 -7.053 1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.461 -8.894 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.481 -9.412 2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.214 -9.067 2.415 1.00 0.00 H new ATOM 982 N PRO A 74 -14.002 -6.032 0.402 1.00 0.00 N ATOM 983 CA PRO A 74 -12.913 -6.464 -0.478 1.00 0.00 C ATOM 984 C PRO A 74 -11.577 -5.832 -0.101 1.00 0.00 C ATOM 985 O PRO A 74 -10.539 -6.167 -0.671 1.00 0.00 O ATOM 986 CB PRO A 74 -13.361 -5.983 -1.861 1.00 0.00 C ATOM 987 CG PRO A 74 -14.269 -4.834 -1.585 1.00 0.00 C ATOM 988 CD PRO A 74 -14.962 -5.155 -0.290 1.00 0.00 C ATOM 0 HA PRO A 74 -12.745 -7.539 -0.420 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.510 -5.678 -2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.876 -6.773 -2.407 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.707 -3.903 -1.507 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.990 -4.704 -2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.172 -4.255 0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.915 -5.656 -0.458 1.00 0.00 H new ATOM 996 N GLN A 75 -11.612 -4.917 0.862 1.00 0.00 N ATOM 997 CA GLN A 75 -10.404 -4.238 1.314 1.00 0.00 C ATOM 998 C GLN A 75 -9.488 -5.199 2.064 1.00 0.00 C ATOM 999 O GLN A 75 -9.946 -6.003 2.877 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.764 -3.053 2.211 1.00 0.00 C ATOM 1001 CG GLN A 75 -10.998 -1.760 1.447 1.00 0.00 C ATOM 1002 CD GLN A 75 -11.917 -0.805 2.183 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -11.522 -0.179 3.168 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -13.151 -0.687 1.708 1.00 0.00 N ATOM 0 H GLN A 75 -12.464 -4.629 1.344 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.874 -3.871 0.435 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.662 -3.297 2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.963 -2.898 2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.041 -1.271 1.267 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.426 -1.991 0.472 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.436 -1.225 0.889 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.814 -0.059 2.162 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.192 -5.112 1.786 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.210 -5.974 2.435 1.00 0.00 C ATOM 1015 C LEU A 76 -6.085 -5.151 3.053 1.00 0.00 C ATOM 1016 O LEU A 76 -5.655 -4.146 2.487 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.634 -6.971 1.428 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.332 -7.662 1.837 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -5.625 -8.908 2.660 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.506 -8.014 0.609 1.00 0.00 C ATOM 0 H LEU A 76 -7.796 -4.453 1.115 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.714 -6.521 3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.384 -7.738 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.465 -6.449 0.486 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.755 -6.972 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.687 -9.387 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.175 -8.629 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.223 -9.602 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.584 -8.505 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.076 -8.686 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.266 -7.104 0.059 1.00 0.00 H new ATOM 1032 N SER A 77 -5.612 -5.584 4.217 1.00 0.00 N ATOM 1033 CA SER A 77 -4.537 -4.886 4.913 1.00 0.00 C ATOM 1034 C SER A 77 -3.179 -5.249 4.319 1.00 0.00 C ATOM 1035 O SER A 77 -3.038 -6.266 3.639 1.00 0.00 O ATOM 1036 CB SER A 77 -4.562 -5.226 6.404 1.00 0.00 C ATOM 1037 OG SER A 77 -5.564 -4.485 7.080 1.00 0.00 O ATOM 0 H SER A 77 -5.956 -6.415 4.698 1.00 0.00 H new ATOM 0 HA SER A 77 -4.693 -3.814 4.789 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.744 -6.293 6.534 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.588 -5.013 6.845 1.00 0.00 H new ATOM 0 HG SER A 77 -5.560 -4.722 8.031 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.183 -4.411 4.583 1.00 0.00 N ATOM 1044 CA LEU A 78 -0.835 -4.642 4.075 1.00 0.00 C ATOM 1045 C LEU A 78 0.211 -4.089 5.038 1.00 0.00 C ATOM 1046 O LEU A 78 -0.069 -3.179 5.817 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.669 -3.996 2.698 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.185 -4.808 1.510 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -1.218 -3.953 0.253 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.325 -6.044 1.294 1.00 0.00 C ATOM 0 H LEU A 78 -2.283 -3.566 5.145 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.687 -5.718 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.182 -3.034 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.390 -3.791 2.540 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.202 -5.132 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.588 -4.548 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.877 -3.100 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.212 -3.598 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.708 -6.609 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.703 -5.742 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.354 -6.668 2.187 1.00 0.00 H new ATOM 1062 N GLN A 79 1.417 -4.645 4.976 1.00 0.00 N ATOM 1063 CA GLN A 79 2.505 -4.206 5.842 1.00 0.00 C ATOM 1064 C GLN A 79 3.764 -3.916 5.030 1.00 0.00 C ATOM 1065 O GLN A 79 4.143 -4.696 4.155 1.00 0.00 O ATOM 1066 CB GLN A 79 2.802 -5.267 6.902 1.00 0.00 C ATOM 1067 CG GLN A 79 1.891 -5.184 8.117 1.00 0.00 C ATOM 1068 CD GLN A 79 1.705 -6.525 8.800 1.00 0.00 C ATOM 1069 OE1 GLN A 79 1.862 -7.577 8.180 1.00 0.00 O ATOM 1070 NE2 GLN A 79 1.369 -6.494 10.084 1.00 0.00 N ATOM 0 H GLN A 79 1.665 -5.399 4.336 1.00 0.00 H new ATOM 0 HA GLN A 79 2.193 -3.286 6.336 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.705 -6.255 6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.837 -5.165 7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.307 -4.472 8.830 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.918 -4.798 7.811 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.249 -5.599 10.558 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.231 -7.365 10.596 1.00 0.00 H new ATOM 1079 N ILE A 80 4.406 -2.791 5.325 1.00 0.00 N ATOM 1080 CA ILE A 80 5.622 -2.400 4.623 1.00 0.00 C ATOM 1081 C ILE A 80 6.613 -3.556 4.553 1.00 0.00 C ATOM 1082 O ILE A 80 6.863 -4.235 5.549 1.00 0.00 O ATOM 1083 CB ILE A 80 6.302 -1.196 5.302 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.334 -0.013 5.380 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.564 -0.806 4.548 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.904 1.188 6.101 1.00 0.00 C ATOM 0 H ILE A 80 4.105 -2.134 6.045 1.00 0.00 H new ATOM 0 HA ILE A 80 5.325 -2.118 3.613 1.00 0.00 H new ATOM 0 HB ILE A 80 6.582 -1.480 6.317 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.050 0.281 4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.423 -0.332 5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.033 0.046 5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.257 -1.647 4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.307 -0.537 3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.163 1.988 6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.162 0.910 7.123 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.798 1.533 5.582 1.00 0.00 H new ATOM 1098 N GLY A 81 7.178 -3.775 3.369 1.00 0.00 N ATOM 1099 CA GLY A 81 8.137 -4.849 3.192 1.00 0.00 C ATOM 1100 C GLY A 81 7.471 -6.178 2.895 1.00 0.00 C ATOM 1101 O GLY A 81 8.099 -7.232 3.003 1.00 0.00 O ATOM 0 H GLY A 81 6.988 -3.227 2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.815 -4.596 2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.743 -4.943 4.093 1.00 0.00 H new ATOM 1105 N ASP A 82 6.197 -6.129 2.523 1.00 0.00 N ATOM 1106 CA ASP A 82 5.445 -7.339 2.210 1.00 0.00 C ATOM 1107 C ASP A 82 5.111 -7.402 0.723 1.00 0.00 C ATOM 1108 O ASP A 82 4.603 -6.439 0.149 1.00 0.00 O ATOM 1109 CB ASP A 82 4.160 -7.394 3.038 1.00 0.00 C ATOM 1110 CG ASP A 82 4.428 -7.323 4.528 1.00 0.00 C ATOM 1111 OD1 ASP A 82 5.437 -6.702 4.921 1.00 0.00 O ATOM 1112 OD2 ASP A 82 3.628 -7.890 5.302 1.00 0.00 O ATOM 0 H ASP A 82 5.663 -5.265 2.431 1.00 0.00 H new ATOM 0 HA ASP A 82 6.066 -8.199 2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.509 -6.568 2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.625 -8.316 2.812 1.00 0.00 H new ATOM 1117 N VAL A 83 5.400 -8.542 0.104 1.00 0.00 N ATOM 1118 CA VAL A 83 5.131 -8.731 -1.316 1.00 0.00 C ATOM 1119 C VAL A 83 3.788 -9.420 -1.533 1.00 0.00 C ATOM 1120 O VAL A 83 3.427 -10.344 -0.804 1.00 0.00 O ATOM 1121 CB VAL A 83 6.237 -9.563 -1.992 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.942 -9.741 -3.473 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.595 -8.909 -1.785 1.00 0.00 C ATOM 0 H VAL A 83 5.821 -9.349 0.564 1.00 0.00 H new ATOM 0 HA VAL A 83 5.106 -7.739 -1.768 1.00 0.00 H new ATOM 0 HB VAL A 83 6.260 -10.550 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.734 -10.331 -3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.989 -10.255 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.891 -8.764 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.365 -9.509 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.588 -7.909 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.806 -8.839 -0.718 1.00 0.00 H new ATOM 1133 N VAL A 84 3.052 -8.966 -2.542 1.00 0.00 N ATOM 1134 CA VAL A 84 1.749 -9.539 -2.857 1.00 0.00 C ATOM 1135 C VAL A 84 1.667 -9.942 -4.326 1.00 0.00 C ATOM 1136 O VAL A 84 2.143 -9.224 -5.205 1.00 0.00 O ATOM 1137 CB VAL A 84 0.610 -8.551 -2.543 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.522 -8.297 -1.046 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.810 -7.249 -3.303 1.00 0.00 C ATOM 0 H VAL A 84 3.336 -8.202 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 84 1.633 -10.425 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.332 -8.993 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.288 -7.597 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.328 -9.236 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.463 -7.876 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.004 -6.563 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.759 -6.799 -3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.818 -7.451 -4.374 1.00 0.00 H new ATOM 1149 N ARG A 85 1.059 -11.095 -4.584 1.00 0.00 N ATOM 1150 CA ARG A 85 0.915 -11.595 -5.946 1.00 0.00 C ATOM 1151 C ARG A 85 -0.203 -10.859 -6.679 1.00 0.00 C ATOM 1152 O ARG A 85 -1.382 -11.036 -6.371 1.00 0.00 O ATOM 1153 CB ARG A 85 0.628 -13.097 -5.933 1.00 0.00 C ATOM 1154 CG ARG A 85 1.155 -13.828 -7.157 1.00 0.00 C ATOM 1155 CD ARG A 85 2.620 -14.200 -6.997 1.00 0.00 C ATOM 1156 NE ARG A 85 2.788 -15.508 -6.369 1.00 0.00 N ATOM 1157 CZ ARG A 85 3.956 -15.971 -5.938 1.00 0.00 C ATOM 1158 NH1 ARG A 85 5.052 -15.237 -6.065 1.00 0.00 N ATOM 1159 NH2 ARG A 85 4.028 -17.172 -5.377 1.00 0.00 N ATOM 0 H ARG A 85 0.658 -11.701 -3.868 1.00 0.00 H new ATOM 0 HA ARG A 85 1.852 -11.416 -6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.072 -13.535 -5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.449 -13.252 -5.863 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.566 -14.730 -7.325 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.033 -13.199 -8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.102 -14.203 -7.975 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.123 -13.442 -6.396 1.00 0.00 H new ATOM 0 HE ARG A 85 1.964 -16.098 -6.255 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.000 -14.313 -6.495 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.947 -15.596 -5.733 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.186 -17.739 -5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.925 -17.527 -5.046 1.00 0.00 H new ATOM 1173 N ILE A 86 0.176 -10.034 -7.649 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.794 -9.272 -8.426 1.00 0.00 C ATOM 1175 C ILE A 86 -1.422 -10.132 -9.517 1.00 0.00 C ATOM 1176 O ILE A 86 -0.718 -10.768 -10.301 1.00 0.00 O ATOM 1177 CB ILE A 86 -0.149 -8.032 -9.073 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.370 -7.079 -7.994 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -1.148 -7.325 -9.976 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.454 -6.145 -8.485 1.00 0.00 C ATOM 0 H ILE A 86 1.148 -9.876 -7.916 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.569 -8.947 -7.731 1.00 0.00 H new ATOM 0 HB ILE A 86 0.695 -8.356 -9.682 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.462 -6.488 -7.612 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.756 -7.664 -7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.677 -6.451 -10.426 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.474 -8.006 -10.762 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.010 -7.010 -9.388 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.775 -5.498 -7.668 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.303 -6.728 -8.841 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.066 -5.534 -9.300 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.750 -10.146 -9.561 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.473 -10.928 -10.557 1.00 0.00 C ATOM 1194 C GLN A 87 -4.269 -10.020 -11.489 1.00 0.00 C ATOM 1195 O GLN A 87 -4.401 -10.300 -12.680 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.411 -11.924 -9.873 1.00 0.00 C ATOM 1197 CG GLN A 87 -3.736 -12.748 -8.789 1.00 0.00 C ATOM 1198 CD GLN A 87 -4.608 -13.884 -8.292 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -4.971 -14.782 -9.052 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -4.950 -13.851 -7.009 1.00 0.00 N ATOM 0 H GLN A 87 -3.347 -9.625 -8.919 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.742 -11.477 -11.151 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.249 -11.381 -9.436 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.824 -12.596 -10.625 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.802 -13.155 -9.176 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.479 -12.099 -7.952 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.627 -13.088 -6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.536 -14.589 -6.618 1.00 0.00 H new ATOM 1209 N GLU A 88 -4.797 -8.931 -10.938 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.581 -7.983 -11.721 1.00 0.00 C ATOM 1211 C GLU A 88 -5.375 -6.558 -11.215 1.00 0.00 C ATOM 1212 O GLU A 88 -5.105 -6.339 -10.034 1.00 0.00 O ATOM 1213 CB GLU A 88 -7.067 -8.347 -11.665 1.00 0.00 C ATOM 1214 CG GLU A 88 -7.955 -7.400 -12.455 1.00 0.00 C ATOM 1215 CD GLU A 88 -7.961 -7.708 -13.939 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -7.692 -8.871 -14.304 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -8.235 -6.786 -14.736 1.00 0.00 O ATOM 0 H GLU A 88 -4.696 -8.684 -9.954 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.240 -8.035 -12.755 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.199 -9.359 -12.047 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.392 -8.354 -10.625 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.974 -7.458 -12.072 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.615 -6.376 -12.302 1.00 0.00 H new ATOM 1224 N THR A 89 -5.505 -5.591 -12.118 1.00 0.00 N ATOM 1225 CA THR A 89 -5.332 -4.188 -11.766 1.00 0.00 C ATOM 1226 C THR A 89 -6.452 -3.333 -12.346 1.00 0.00 C ATOM 1227 O THR A 89 -6.667 -3.314 -13.559 1.00 0.00 O ATOM 1228 CB THR A 89 -3.978 -3.646 -12.263 1.00 0.00 C ATOM 1229 OG1 THR A 89 -2.911 -4.459 -11.761 1.00 0.00 O ATOM 1230 CG2 THR A 89 -3.776 -2.205 -11.820 1.00 0.00 C ATOM 0 H THR A 89 -5.730 -5.755 -13.099 1.00 0.00 H new ATOM 0 HA THR A 89 -5.361 -4.130 -10.678 1.00 0.00 H new ATOM 0 HB THR A 89 -3.977 -3.678 -13.353 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.350 -3.927 -11.159 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.813 -1.844 -12.183 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.573 -1.584 -12.228 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.796 -2.153 -10.731 1.00 0.00 H new ATOM 1238 N CYS A 90 -7.163 -2.626 -11.474 1.00 0.00 N ATOM 1239 CA CYS A 90 -8.262 -1.768 -11.901 1.00 0.00 C ATOM 1240 C CYS A 90 -8.074 -0.345 -11.384 1.00 0.00 C ATOM 1241 O CYS A 90 -7.693 -0.137 -10.233 1.00 0.00 O ATOM 1242 CB CYS A 90 -9.596 -2.330 -11.407 1.00 0.00 C ATOM 1243 SG CYS A 90 -11.019 -1.842 -12.410 1.00 0.00 S ATOM 0 H CYS A 90 -6.998 -2.630 -10.467 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.267 -1.742 -12.991 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.535 -3.418 -11.388 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.759 -2.001 -10.381 1.00 0.00 H new ATOM 0 HG CYS A 90 -12.100 -2.368 -11.915 1.00 0.00 H new ATOM 1249 N GLY A 91 -8.342 0.632 -12.245 1.00 0.00 N ATOM 1250 CA GLY A 91 -8.195 2.023 -11.858 1.00 0.00 C ATOM 1251 C GLY A 91 -6.935 2.270 -11.052 1.00 0.00 C ATOM 1252 O GLY A 91 -5.825 2.054 -11.540 1.00 0.00 O ATOM 0 H GLY A 91 -8.658 0.485 -13.204 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.179 2.646 -12.752 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.063 2.328 -11.273 1.00 0.00 H new ATOM 1256 N ASP A 92 -7.105 2.724 -9.816 1.00 0.00 N ATOM 1257 CA ASP A 92 -5.972 3.002 -8.940 1.00 0.00 C ATOM 1258 C ASP A 92 -5.916 2.000 -7.791 1.00 0.00 C ATOM 1259 O ASP A 92 -5.623 2.364 -6.652 1.00 0.00 O ATOM 1260 CB ASP A 92 -6.064 4.425 -8.389 1.00 0.00 C ATOM 1261 CG ASP A 92 -6.272 5.457 -9.480 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -7.220 5.294 -10.276 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -5.487 6.427 -9.538 1.00 0.00 O ATOM 0 H ASP A 92 -8.017 2.908 -9.397 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.058 2.907 -9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.887 4.483 -7.677 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.151 4.659 -7.841 1.00 0.00 H new ATOM 1268 N TRP A 93 -6.198 0.739 -8.098 1.00 0.00 N ATOM 1269 CA TRP A 93 -6.180 -0.315 -7.090 1.00 0.00 C ATOM 1270 C TRP A 93 -5.689 -1.629 -7.685 1.00 0.00 C ATOM 1271 O TRP A 93 -6.071 -2.000 -8.796 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.576 -0.501 -6.492 1.00 0.00 C ATOM 1273 CG TRP A 93 -8.025 0.661 -5.658 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -8.468 1.871 -6.109 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -8.072 0.721 -4.229 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.788 2.681 -5.046 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.555 1.999 -3.882 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.756 -0.179 -3.208 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.727 2.395 -2.558 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -7.927 0.216 -1.895 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.409 1.493 -1.579 1.00 0.00 C ATOM 0 H TRP A 93 -6.442 0.422 -9.036 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.491 -0.016 -6.300 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.291 -0.657 -7.299 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.584 -1.403 -5.880 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.554 2.151 -7.149 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -9.142 3.635 -5.113 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.385 -1.166 -3.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -9.098 3.379 -2.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -7.685 -0.472 -1.098 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.532 1.771 -0.543 1.00 0.00 H new ATOM 1292 N TYR A 94 -4.841 -2.331 -6.942 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.297 -3.604 -7.398 1.00 0.00 C ATOM 1294 C TYR A 94 -5.121 -4.772 -6.865 1.00 0.00 C ATOM 1295 O TYR A 94 -5.815 -4.646 -5.855 1.00 0.00 O ATOM 1296 CB TYR A 94 -2.840 -3.748 -6.954 1.00 0.00 C ATOM 1297 CG TYR A 94 -1.865 -2.981 -7.818 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -1.941 -3.038 -9.204 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -0.868 -2.199 -7.248 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -1.051 -2.339 -9.997 1.00 0.00 C ATOM 1301 CE2 TYR A 94 0.025 -1.496 -8.033 1.00 0.00 C ATOM 1302 CZ TYR A 94 -0.070 -1.570 -9.407 1.00 0.00 C ATOM 1303 OH TYR A 94 0.817 -0.872 -10.194 1.00 0.00 O ATOM 0 H TYR A 94 -4.515 -2.039 -6.020 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.342 -3.620 -8.487 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.747 -3.405 -5.924 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.569 -4.804 -6.964 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.708 -3.639 -9.669 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.790 -2.140 -6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.123 -2.395 -11.073 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.793 -0.892 -7.574 1.00 0.00 H new ATOM 0 HH TYR A 94 1.443 -0.380 -9.623 1.00 0.00 H new ATOM 1313 N ARG A 95 -5.038 -5.908 -7.550 1.00 0.00 N ATOM 1314 CA ARG A 95 -5.776 -7.099 -7.146 1.00 0.00 C ATOM 1315 C ARG A 95 -4.825 -8.258 -6.865 1.00 0.00 C ATOM 1316 O ARG A 95 -3.904 -8.520 -7.638 1.00 0.00 O ATOM 1317 CB ARG A 95 -6.776 -7.497 -8.233 1.00 0.00 C ATOM 1318 CG ARG A 95 -7.856 -8.450 -7.747 1.00 0.00 C ATOM 1319 CD ARG A 95 -8.896 -7.729 -6.903 1.00 0.00 C ATOM 1320 NE ARG A 95 -9.904 -8.645 -6.376 1.00 0.00 N ATOM 1321 CZ ARG A 95 -9.667 -9.517 -5.403 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -8.463 -9.591 -4.853 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -10.636 -10.318 -4.977 1.00 0.00 N ATOM 0 H ARG A 95 -4.467 -6.029 -8.387 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.319 -6.867 -6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.248 -6.597 -8.628 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.237 -7.962 -9.058 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.342 -8.918 -8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.401 -9.249 -7.162 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.402 -7.219 -6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.383 -6.962 -7.505 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.841 -8.613 -6.777 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.716 -8.977 -5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -8.284 -10.262 -4.106 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.564 -10.264 -5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.453 -10.987 -4.230 1.00 0.00 H new ATOM 1337 N GLY A 96 -5.055 -8.950 -5.753 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.210 -10.072 -5.390 1.00 0.00 C ATOM 1339 C GLY A 96 -4.379 -10.480 -3.939 1.00 0.00 C ATOM 1340 O GLY A 96 -5.463 -10.340 -3.371 1.00 0.00 O ATOM 0 H GLY A 96 -5.811 -8.753 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.443 -10.921 -6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.167 -9.811 -5.572 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.308 -10.985 -3.340 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.344 -11.418 -1.948 1.00 0.00 C ATOM 1346 C TYR A 97 -1.949 -11.385 -1.330 1.00 0.00 C ATOM 1347 O TYR A 97 -0.967 -11.067 -2.003 1.00 0.00 O ATOM 1348 CB TYR A 97 -3.925 -12.830 -1.846 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.177 -13.853 -2.670 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -1.863 -14.190 -2.369 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -3.784 -14.483 -3.750 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.175 -15.125 -3.119 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.104 -15.419 -4.504 1.00 0.00 C ATOM 1354 CZ TYR A 97 -1.801 -15.737 -4.185 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.120 -16.668 -4.936 1.00 0.00 O ATOM 0 H TYR A 97 -2.403 -11.105 -3.796 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.983 -10.728 -1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.919 -13.142 -0.802 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -4.967 -12.809 -2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.371 -13.713 -1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -4.804 -14.236 -4.004 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.154 -15.375 -2.872 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.591 -15.900 -5.340 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.704 -17.004 -5.648 1.00 0.00 H new ATOM 1365 N LEU A 98 -1.870 -11.715 -0.046 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.596 -11.724 0.664 1.00 0.00 C ATOM 1367 C LEU A 98 0.132 -13.049 0.460 1.00 0.00 C ATOM 1368 O LEU A 98 -0.318 -14.095 0.929 1.00 0.00 O ATOM 1369 CB LEU A 98 -0.820 -11.477 2.157 1.00 0.00 C ATOM 1370 CG LEU A 98 0.316 -10.771 2.899 1.00 0.00 C ATOM 1371 CD1 LEU A 98 0.666 -9.459 2.214 1.00 0.00 C ATOM 1372 CD2 LEU A 98 -0.064 -10.532 4.353 1.00 0.00 C ATOM 0 H LEU A 98 -2.673 -11.980 0.525 1.00 0.00 H new ATOM 0 HA LEU A 98 0.023 -10.924 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.727 -10.884 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.001 -12.437 2.640 1.00 0.00 H new ATOM 0 HG LEU A 98 1.195 -11.415 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.476 -8.971 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.982 -9.656 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.209 -8.809 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.756 -10.029 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.957 -9.909 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.264 -11.487 4.839 1.00 0.00 H new ATOM 1384 N ILE A 99 1.260 -12.997 -0.241 1.00 0.00 N ATOM 1385 CA ILE A 99 2.052 -14.192 -0.504 1.00 0.00 C ATOM 1386 C ILE A 99 2.419 -14.904 0.794 1.00 0.00 C ATOM 1387 O ILE A 99 2.333 -16.129 0.889 1.00 0.00 O ATOM 1388 CB ILE A 99 3.342 -13.855 -1.274 1.00 0.00 C ATOM 1389 CG1 ILE A 99 3.010 -13.086 -2.555 1.00 0.00 C ATOM 1390 CG2 ILE A 99 4.113 -15.125 -1.597 1.00 0.00 C ATOM 1391 CD1 ILE A 99 4.172 -12.282 -3.096 1.00 0.00 C ATOM 0 H ILE A 99 1.646 -12.140 -0.637 1.00 0.00 H new ATOM 0 HA ILE A 99 1.436 -14.851 -1.116 1.00 0.00 H new ATOM 0 HB ILE A 99 3.969 -13.223 -0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.681 -13.792 -3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.174 -12.415 -2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.022 -14.870 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.376 -15.637 -0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.494 -15.780 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.864 -11.764 -4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.488 -11.552 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.002 -12.950 -3.324 1.00 0.00 H new ATOM 1403 N LYS A 100 2.829 -14.129 1.792 1.00 0.00 N ATOM 1404 CA LYS A 100 3.207 -14.683 3.086 1.00 0.00 C ATOM 1405 C LYS A 100 1.990 -15.241 3.816 1.00 0.00 C ATOM 1406 O LYS A 100 2.085 -16.240 4.531 1.00 0.00 O ATOM 1407 CB LYS A 100 3.884 -13.612 3.945 1.00 0.00 C ATOM 1408 CG LYS A 100 3.107 -12.309 4.016 1.00 0.00 C ATOM 1409 CD LYS A 100 3.689 -11.369 5.058 1.00 0.00 C ATOM 1410 CE LYS A 100 4.935 -10.667 4.541 1.00 0.00 C ATOM 1411 NZ LYS A 100 5.830 -10.236 5.651 1.00 0.00 N ATOM 0 H LYS A 100 2.908 -13.114 1.729 1.00 0.00 H new ATOM 0 HA LYS A 100 3.909 -15.498 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.020 -14.000 4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.878 -13.411 3.544 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.119 -11.824 3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.064 -12.519 4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.942 -10.627 5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.934 -11.930 5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.479 -11.337 3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.644 -9.798 3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.668 -9.762 5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.319 -9.577 6.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.129 -11.068 6.199 1.00 0.00 H new ATOM 1425 N HIS A 101 0.845 -14.591 3.631 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.392 -15.023 4.271 1.00 0.00 C ATOM 1427 C HIS A 101 -1.551 -15.008 3.279 1.00 0.00 C ATOM 1428 O HIS A 101 -2.418 -14.135 3.334 1.00 0.00 O ATOM 1429 CB HIS A 101 -0.715 -14.124 5.465 1.00 0.00 C ATOM 1430 CG HIS A 101 0.315 -14.176 6.551 1.00 0.00 C ATOM 1431 ND1 HIS A 101 0.382 -15.196 7.476 1.00 0.00 N ATOM 1432 CD2 HIS A 101 1.324 -13.328 6.855 1.00 0.00 C ATOM 1433 CE1 HIS A 101 1.387 -14.972 8.304 1.00 0.00 C ATOM 1434 NE2 HIS A 101 1.976 -13.844 7.948 1.00 0.00 N ATOM 0 H HIS A 101 0.749 -13.763 3.043 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.252 -16.045 4.623 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.814 -13.095 5.118 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.681 -14.415 5.878 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.571 -12.414 6.335 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.678 -15.603 9.131 1.00 0.00 H new ATOM 0 HE2 HIS A 101 2.783 -13.425 8.410 1.00 0.00 H new ATOM 1443 N LYS A 102 -1.560 -15.979 2.372 1.00 0.00 N ATOM 1444 CA LYS A 102 -2.612 -16.079 1.367 1.00 0.00 C ATOM 1445 C LYS A 102 -3.988 -15.909 2.002 1.00 0.00 C ATOM 1446 O LYS A 102 -4.896 -15.341 1.395 1.00 0.00 O ATOM 1447 CB LYS A 102 -2.533 -17.427 0.648 1.00 0.00 C ATOM 1448 CG LYS A 102 -1.586 -17.429 -0.539 1.00 0.00 C ATOM 1449 CD LYS A 102 -0.140 -17.274 -0.099 1.00 0.00 C ATOM 1450 CE LYS A 102 0.385 -18.546 0.549 1.00 0.00 C ATOM 1451 NZ LYS A 102 0.562 -19.642 -0.444 1.00 0.00 N ATOM 0 H LYS A 102 -0.850 -16.709 2.312 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.464 -15.279 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.214 -18.190 1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.530 -17.706 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.700 -18.359 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.850 -16.618 -1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 102 0.478 -17.021 -0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -0.060 -16.446 0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.338 -18.339 1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.306 -18.869 1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.134 -20.402 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -0.369 -20.019 -0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.044 -19.272 -1.288 1.00 0.00 H new ATOM 1465 N MET A 103 -4.135 -16.402 3.227 1.00 0.00 N ATOM 1466 CA MET A 103 -5.401 -16.302 3.944 1.00 0.00 C ATOM 1467 C MET A 103 -6.010 -14.913 3.780 1.00 0.00 C ATOM 1468 O MET A 103 -7.220 -14.734 3.927 1.00 0.00 O ATOM 1469 CB MET A 103 -5.196 -16.610 5.429 1.00 0.00 C ATOM 1470 CG MET A 103 -5.420 -18.071 5.783 1.00 0.00 C ATOM 1471 SD MET A 103 -7.077 -18.385 6.422 1.00 0.00 S ATOM 1472 CE MET A 103 -8.082 -17.733 5.090 1.00 0.00 C ATOM 0 H MET A 103 -3.394 -16.875 3.744 1.00 0.00 H new ATOM 0 HA MET A 103 -6.089 -17.033 3.520 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.183 -16.327 5.714 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.876 -15.994 6.017 1.00 0.00 H new ATOM 0 HG2 MET A 103 -5.254 -18.685 4.898 1.00 0.00 H new ATOM 0 HG3 MET A 103 -4.684 -18.378 6.526 1.00 0.00 H new ATOM 0 HE1 MET A 103 -9.130 -17.965 5.278 1.00 0.00 H new ATOM 0 HE2 MET A 103 -7.954 -16.652 5.033 1.00 0.00 H new ATOM 0 HE3 MET A 103 -7.774 -18.185 4.147 1.00 0.00 H new ATOM 1482 N LEU A 104 -5.166 -13.934 3.475 1.00 0.00 N ATOM 1483 CA LEU A 104 -5.622 -12.560 3.291 1.00 0.00 C ATOM 1484 C LEU A 104 -5.679 -12.200 1.811 1.00 0.00 C ATOM 1485 O LEU A 104 -4.655 -12.172 1.129 1.00 0.00 O ATOM 1486 CB LEU A 104 -4.695 -11.592 4.028 1.00 0.00 C ATOM 1487 CG LEU A 104 -4.089 -12.105 5.335 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -3.565 -10.949 6.171 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -5.116 -12.910 6.119 1.00 0.00 C ATOM 0 H LEU A 104 -4.162 -14.065 3.350 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.627 -12.477 3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.881 -11.318 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.252 -10.680 4.243 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.252 -12.759 5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.138 -11.334 7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.797 -10.414 5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.384 -10.269 6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.668 -13.267 7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.974 -12.278 6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.443 -13.762 5.522 1.00 0.00 H new ATOM 1501 N GLN A 105 -6.883 -11.922 1.321 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.073 -11.561 -0.079 1.00 0.00 C ATOM 1503 C GLN A 105 -8.042 -10.390 -0.213 1.00 0.00 C ATOM 1504 O GLN A 105 -9.089 -10.362 0.432 1.00 0.00 O ATOM 1505 CB GLN A 105 -7.593 -12.762 -0.871 1.00 0.00 C ATOM 1506 CG GLN A 105 -6.954 -14.080 -0.466 1.00 0.00 C ATOM 1507 CD GLN A 105 -7.660 -15.280 -1.067 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -8.777 -15.167 -1.575 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -7.011 -16.437 -1.014 1.00 0.00 N ATOM 0 H GLN A 105 -7.741 -11.940 1.872 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.108 -11.258 -0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.672 -12.835 -0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.414 -12.592 -1.933 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.910 -14.084 -0.778 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.963 -14.165 0.621 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.087 -16.484 -0.584 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.436 -17.278 -1.404 1.00 0.00 H new ATOM 1518 N GLY A 106 -7.684 -9.425 -1.054 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.532 -8.265 -1.257 1.00 0.00 C ATOM 1520 C GLY A 106 -7.942 -7.281 -2.247 1.00 0.00 C ATOM 1521 O GLY A 106 -7.317 -7.679 -3.230 1.00 0.00 O ATOM 0 H GLY A 106 -6.822 -9.426 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.509 -8.591 -1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.691 -7.764 -0.302 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.141 -5.993 -1.989 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.624 -4.950 -2.865 1.00 0.00 C ATOM 1527 C ILE A 107 -6.836 -3.910 -2.077 1.00 0.00 C ATOM 1528 O ILE A 107 -7.035 -3.745 -0.873 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.759 -4.245 -3.632 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.853 -3.792 -2.663 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -9.334 -5.168 -4.695 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.889 -2.892 -3.299 1.00 0.00 C ATOM 0 H ILE A 107 -8.657 -5.647 -1.180 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.962 -5.439 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.350 -3.364 -4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.350 -4.671 -2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.392 -3.267 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.135 -4.655 -5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.549 -5.446 -5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.731 -6.066 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.633 -2.610 -2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.404 -1.995 -3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.378 -3.421 -4.117 1.00 0.00 H new ATOM 1544 N PHE A 108 -5.941 -3.208 -2.764 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.122 -2.182 -2.128 1.00 0.00 C ATOM 1546 C PHE A 108 -4.716 -1.109 -3.134 1.00 0.00 C ATOM 1547 O PHE A 108 -4.745 -1.317 -4.347 1.00 0.00 O ATOM 1548 CB PHE A 108 -3.874 -2.809 -1.504 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.395 -4.036 -2.226 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -2.512 -3.931 -3.288 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -3.829 -5.295 -1.842 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -2.069 -5.058 -3.954 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -3.389 -6.426 -2.505 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.509 -6.307 -3.563 1.00 0.00 C ATOM 0 H PHE A 108 -5.764 -3.331 -3.761 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.716 -1.714 -1.343 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.073 -2.069 -1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.087 -3.067 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.166 -2.957 -3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.518 -5.394 -1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -1.379 -4.962 -4.780 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -3.733 -7.402 -2.196 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.166 -7.189 -4.083 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.329 0.068 -2.620 1.00 0.00 N ATOM 1565 CA PRO A 109 -3.911 1.198 -3.455 1.00 0.00 C ATOM 1566 C PRO A 109 -2.572 0.946 -4.141 1.00 0.00 C ATOM 1567 O PRO A 109 -1.601 0.542 -3.501 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.791 2.352 -2.456 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.528 1.693 -1.146 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.270 0.386 -1.183 1.00 0.00 C ATOM 0 HA PRO A 109 -4.615 1.389 -4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.981 3.029 -2.728 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.705 2.945 -2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.460 1.531 -0.998 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.874 2.315 -0.320 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.748 -0.389 -0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.266 0.477 -0.750 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.528 1.188 -5.447 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.308 0.990 -6.221 1.00 0.00 C ATOM 1580 C LYS A 110 -0.179 1.870 -5.692 1.00 0.00 C ATOM 1581 O LYS A 110 0.983 1.464 -5.681 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.561 1.300 -7.698 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.987 1.023 -8.141 1.00 0.00 C ATOM 1584 CD LYS A 110 -3.049 0.630 -9.608 1.00 0.00 C ATOM 1585 CE LYS A 110 -2.634 1.781 -10.511 1.00 0.00 C ATOM 1586 NZ LYS A 110 -3.093 1.580 -11.914 1.00 0.00 N ATOM 0 H LYS A 110 -3.323 1.522 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 110 -1.009 -0.053 -6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.328 2.348 -7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.878 0.708 -8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.410 0.224 -7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.599 1.909 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.397 -0.226 -9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.062 0.316 -9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.046 2.713 -10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.549 1.882 -10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.563 2.213 -12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.928 0.592 -12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.108 1.794 -11.981 1.00 0.00 H new ATOM 1600 N SER A 111 -0.530 3.075 -5.255 1.00 0.00 N ATOM 1601 CA SER A 111 0.454 4.013 -4.727 1.00 0.00 C ATOM 1602 C SER A 111 1.170 3.424 -3.515 1.00 0.00 C ATOM 1603 O SER A 111 2.167 3.972 -3.042 1.00 0.00 O ATOM 1604 CB SER A 111 -0.220 5.332 -4.344 1.00 0.00 C ATOM 1605 OG SER A 111 0.712 6.236 -3.778 1.00 0.00 O ATOM 0 H SER A 111 -1.488 3.425 -5.256 1.00 0.00 H new ATOM 0 HA SER A 111 1.192 4.204 -5.506 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.676 5.780 -5.227 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.023 5.140 -3.633 1.00 0.00 H new ATOM 0 HG SER A 111 1.517 5.748 -3.505 1.00 0.00 H new ATOM 1611 N PHE A 112 0.655 2.305 -3.018 1.00 0.00 N ATOM 1612 CA PHE A 112 1.243 1.641 -1.860 1.00 0.00 C ATOM 1613 C PHE A 112 2.065 0.428 -2.288 1.00 0.00 C ATOM 1614 O PHE A 112 2.980 0.005 -1.581 1.00 0.00 O ATOM 1615 CB PHE A 112 0.149 1.211 -0.882 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.414 2.345 -0.074 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -0.849 3.505 -0.695 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.508 2.252 1.305 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.366 4.551 0.046 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -1.025 3.295 2.051 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.455 4.446 1.420 1.00 0.00 C ATOM 0 H PHE A 112 -0.168 1.838 -3.399 1.00 0.00 H new ATOM 0 HA PHE A 112 1.906 2.350 -1.363 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.659 0.737 -1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.554 0.459 -0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.783 3.593 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.173 1.354 1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.700 5.450 -0.450 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.093 3.210 3.126 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.860 5.262 2.000 1.00 0.00 H new ATOM 1631 N ILE A 113 1.730 -0.126 -3.448 1.00 0.00 N ATOM 1632 CA ILE A 113 2.436 -1.289 -3.971 1.00 0.00 C ATOM 1633 C ILE A 113 3.547 -0.873 -4.929 1.00 0.00 C ATOM 1634 O ILE A 113 3.329 -0.074 -5.840 1.00 0.00 O ATOM 1635 CB ILE A 113 1.478 -2.249 -4.699 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.341 -2.675 -3.768 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.234 -3.466 -5.211 1.00 0.00 C ATOM 1638 CD1 ILE A 113 0.815 -3.409 -2.533 1.00 0.00 C ATOM 0 H ILE A 113 0.974 0.212 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 113 2.872 -1.804 -3.115 1.00 0.00 H new ATOM 0 HB ILE A 113 1.047 -1.728 -5.553 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.219 -1.791 -3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.349 -3.315 -4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.542 -4.135 -5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.011 -3.146 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.691 -3.990 -4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.044 -3.681 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.350 -4.312 -2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.481 -2.764 -1.960 1.00 0.00 H new ATOM 1650 N HIS A 114 4.739 -1.423 -4.718 1.00 0.00 N ATOM 1651 CA HIS A 114 5.885 -1.111 -5.565 1.00 0.00 C ATOM 1652 C HIS A 114 6.193 -2.268 -6.511 1.00 0.00 C ATOM 1653 O HIS A 114 6.647 -3.329 -6.081 1.00 0.00 O ATOM 1654 CB HIS A 114 7.111 -0.799 -4.706 1.00 0.00 C ATOM 1655 CG HIS A 114 8.319 -0.414 -5.504 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.325 0.632 -6.402 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.565 -0.941 -5.533 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.523 0.731 -6.951 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.294 -0.212 -6.440 1.00 0.00 N ATOM 0 H HIS A 114 4.936 -2.086 -3.969 1.00 0.00 H new ATOM 0 HA HIS A 114 5.636 -0.234 -6.162 1.00 0.00 H new ATOM 0 HB2 HIS A 114 6.866 0.011 -4.019 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.350 -1.672 -4.098 1.00 0.00 H new ATOM 0 HD2 HIS A 114 9.920 -1.779 -4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 114 9.821 1.459 -7.691 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.272 -0.373 -6.680 1.00 0.00 H new ATOM 1668 N ILE A 115 5.941 -2.057 -7.798 1.00 0.00 N ATOM 1669 CA ILE A 115 6.192 -3.083 -8.803 1.00 0.00 C ATOM 1670 C ILE A 115 7.682 -3.381 -8.925 1.00 0.00 C ATOM 1671 O ILE A 115 8.478 -2.501 -9.255 1.00 0.00 O ATOM 1672 CB ILE A 115 5.649 -2.663 -10.182 1.00 0.00 C ATOM 1673 CG1 ILE A 115 4.142 -2.410 -10.107 1.00 0.00 C ATOM 1674 CG2 ILE A 115 5.961 -3.731 -11.221 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.360 -3.579 -9.551 1.00 0.00 C ATOM 0 H ILE A 115 5.563 -1.185 -8.170 1.00 0.00 H new ATOM 0 HA ILE A 115 5.671 -3.982 -8.474 1.00 0.00 H new ATOM 0 HB ILE A 115 6.139 -1.737 -10.482 1.00 0.00 H new ATOM 0 HG12 ILE A 115 3.960 -1.533 -9.486 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.771 -2.177 -11.105 1.00 0.00 H new ATOM 0 HG21 ILE A 115 5.571 -3.420 -12.190 1.00 0.00 H new ATOM 0 HG22 ILE A 115 7.040 -3.867 -11.290 1.00 0.00 H new ATOM 0 HG23 ILE A 115 5.495 -4.672 -10.927 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.299 -3.329 -9.527 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.512 -4.453 -10.184 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.704 -3.799 -8.540 1.00 0.00 H new ATOM 1687 N LYS A 116 8.054 -4.628 -8.657 1.00 0.00 N ATOM 1688 CA LYS A 116 9.449 -5.045 -8.739 1.00 0.00 C ATOM 1689 C LYS A 116 9.857 -5.297 -10.186 1.00 0.00 C ATOM 1690 O LYS A 116 10.513 -6.293 -10.491 1.00 0.00 O ATOM 1691 CB LYS A 116 9.674 -6.310 -7.906 1.00 0.00 C ATOM 1692 CG LYS A 116 9.191 -6.188 -6.472 1.00 0.00 C ATOM 1693 CD LYS A 116 10.287 -5.670 -5.556 1.00 0.00 C ATOM 1694 CE LYS A 116 11.082 -6.810 -4.937 1.00 0.00 C ATOM 1695 NZ LYS A 116 12.257 -7.184 -5.772 1.00 0.00 N ATOM 0 H LYS A 116 7.409 -5.368 -8.381 1.00 0.00 H new ATOM 0 HA LYS A 116 10.067 -4.240 -8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.161 -7.145 -8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.738 -6.549 -7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.334 -5.516 -6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.850 -7.161 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.958 -5.022 -6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.845 -5.062 -4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.421 -6.519 -3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.435 -7.678 -4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.923 -7.744 -5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.939 -7.747 -6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.730 -6.322 -6.111 1.00 0.00 H new