USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 TYR OH : rot 180:sc= 0.0172 USER MOD Set 1.2: A 110 LYS NZ :NH3+ 143:sc= -0.514 (180deg=-1.87) USER MOD Set 2.1: A 100 LYS NZ :NH3+ 178:sc= -0.0716 (180deg=-0.0258) USER MOD Set 2.2: A 101 HIS : no HD1:sc= -3.5! C(o=-3.8!,f=-3.8!) USER MOD Set 2.3: A 103 MET CE :methyl -154:sc= -0.218 (180deg=-1.22) USER MOD Set 3.1: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= -6.3! C(o=-6.3!,f=-8.6!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.276 F(o=-3.2!,f=-0.28) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 87 GLN : amide:sc= -0.0969 K(o=-0.097,f=-3.1!) USER MOD Single : A 89 THR OG1 : rot -118:sc= 0.796 USER MOD Single : A 90 CYS SG : rot -11:sc= -1.23 USER MOD Single : A 105 GLN : amide:sc= 0.0214 X(o=0.021,f=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=-0.014) USER MOD Single : A 116 LYS NZ :NH3+ -121:sc= -0.365 (180deg=-1.93!) USER MOD ----------------------------------------------------------------- ATOM 781 N ARG A 60 2.432 -10.030 -11.471 1.00 0.00 N ATOM 782 CA ARG A 60 3.442 -9.026 -11.157 1.00 0.00 C ATOM 783 C ARG A 60 3.875 -9.129 -9.697 1.00 0.00 C ATOM 784 O ARG A 60 3.089 -9.513 -8.831 1.00 0.00 O ATOM 785 CB ARG A 60 2.903 -7.623 -11.442 1.00 0.00 C ATOM 786 CG ARG A 60 3.977 -6.629 -11.851 1.00 0.00 C ATOM 787 CD ARG A 60 3.370 -5.336 -12.373 1.00 0.00 C ATOM 788 NE ARG A 60 2.824 -5.492 -13.718 1.00 0.00 N ATOM 789 CZ ARG A 60 1.865 -4.720 -14.216 1.00 0.00 C ATOM 790 NH1 ARG A 60 1.349 -3.742 -13.484 1.00 0.00 N ATOM 791 NH2 ARG A 60 1.420 -4.924 -15.449 1.00 0.00 N ATOM 0 HA ARG A 60 4.310 -9.210 -11.790 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.156 -7.684 -12.233 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.395 -7.251 -10.552 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.618 -6.412 -10.996 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.610 -7.072 -12.620 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.581 -5.007 -11.697 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.130 -4.555 -12.379 1.00 0.00 H new ATOM 0 HE ARG A 60 3.200 -6.235 -14.308 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.689 -3.581 -12.536 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.613 -3.151 -13.869 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.814 -5.675 -16.016 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.683 -4.330 -15.830 1.00 0.00 H new ATOM 805 N HIS A 61 5.131 -8.783 -9.432 1.00 0.00 N ATOM 806 CA HIS A 61 5.670 -8.836 -8.078 1.00 0.00 C ATOM 807 C HIS A 61 5.757 -7.439 -7.472 1.00 0.00 C ATOM 808 O HIS A 61 6.472 -6.575 -7.979 1.00 0.00 O ATOM 809 CB HIS A 61 7.051 -9.491 -8.081 1.00 0.00 C ATOM 810 CG HIS A 61 7.355 -10.255 -6.829 1.00 0.00 C ATOM 811 ND1 HIS A 61 8.454 -9.995 -6.037 1.00 0.00 N ATOM 812 CD2 HIS A 61 6.696 -11.275 -6.232 1.00 0.00 C ATOM 813 CE1 HIS A 61 8.458 -10.824 -5.008 1.00 0.00 C ATOM 814 NE2 HIS A 61 7.401 -11.611 -5.103 1.00 0.00 N ATOM 0 H HIS A 61 5.794 -8.463 -10.137 1.00 0.00 H new ATOM 0 HA HIS A 61 4.994 -9.435 -7.468 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.122 -10.165 -8.934 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.809 -8.720 -8.220 1.00 0.00 H new ATOM 0 HD1 HIS A 61 9.154 -9.275 -6.217 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.785 -11.739 -6.579 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.199 -10.853 -4.223 1.00 0.00 H new ATOM 823 N GLY A 62 5.023 -7.223 -6.385 1.00 0.00 N ATOM 824 CA GLY A 62 5.031 -5.928 -5.730 1.00 0.00 C ATOM 825 C GLY A 62 5.425 -6.020 -4.269 1.00 0.00 C ATOM 826 O GLY A 62 5.476 -7.110 -3.700 1.00 0.00 O ATOM 0 H GLY A 62 4.423 -7.922 -5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.724 -5.266 -6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.041 -5.478 -5.809 1.00 0.00 H new ATOM 830 N VAL A 63 5.706 -4.872 -3.660 1.00 0.00 N ATOM 831 CA VAL A 63 6.099 -4.828 -2.256 1.00 0.00 C ATOM 832 C VAL A 63 5.521 -3.600 -1.563 1.00 0.00 C ATOM 833 O VAL A 63 5.694 -2.473 -2.027 1.00 0.00 O ATOM 834 CB VAL A 63 7.631 -4.818 -2.102 1.00 0.00 C ATOM 835 CG1 VAL A 63 8.025 -4.334 -0.715 1.00 0.00 C ATOM 836 CG2 VAL A 63 8.203 -6.200 -2.376 1.00 0.00 C ATOM 0 H VAL A 63 5.669 -3.961 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 63 5.701 -5.728 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 63 8.048 -4.126 -2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.111 -4.334 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.648 -3.323 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.599 -4.998 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.287 -6.174 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.781 -6.915 -1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.952 -6.503 -3.392 1.00 0.00 H new ATOM 846 N ALA A 64 4.833 -3.825 -0.448 1.00 0.00 N ATOM 847 CA ALA A 64 4.232 -2.736 0.312 1.00 0.00 C ATOM 848 C ALA A 64 5.301 -1.824 0.904 1.00 0.00 C ATOM 849 O ALA A 64 6.233 -2.289 1.560 1.00 0.00 O ATOM 850 CB ALA A 64 3.340 -3.291 1.413 1.00 0.00 C ATOM 0 H ALA A 64 4.678 -4.752 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 64 3.623 -2.143 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.898 -2.467 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.548 -3.895 0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.934 -3.909 2.086 1.00 0.00 H new ATOM 856 N ILE A 65 5.159 -0.524 0.668 1.00 0.00 N ATOM 857 CA ILE A 65 6.113 0.453 1.178 1.00 0.00 C ATOM 858 C ILE A 65 5.527 1.231 2.352 1.00 0.00 C ATOM 859 O ILE A 65 6.257 1.694 3.229 1.00 0.00 O ATOM 860 CB ILE A 65 6.543 1.446 0.082 1.00 0.00 C ATOM 861 CG1 ILE A 65 5.314 2.083 -0.570 1.00 0.00 C ATOM 862 CG2 ILE A 65 7.399 0.745 -0.961 1.00 0.00 C ATOM 863 CD1 ILE A 65 5.655 3.090 -1.646 1.00 0.00 C ATOM 0 H ILE A 65 4.393 -0.123 0.127 1.00 0.00 H new ATOM 0 HA ILE A 65 6.987 -0.105 1.514 1.00 0.00 H new ATOM 0 HB ILE A 65 7.138 2.236 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.694 1.298 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.718 2.573 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.695 1.460 -1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.289 0.334 -0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.827 -0.062 -1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.736 3.501 -2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.250 3.896 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.225 2.600 -2.435 1.00 0.00 H new ATOM 875 N TYR A 66 4.206 1.370 2.363 1.00 0.00 N ATOM 876 CA TYR A 66 3.522 2.092 3.429 1.00 0.00 C ATOM 877 C TYR A 66 2.511 1.194 4.133 1.00 0.00 C ATOM 878 O TYR A 66 1.793 0.427 3.493 1.00 0.00 O ATOM 879 CB TYR A 66 2.819 3.328 2.866 1.00 0.00 C ATOM 880 CG TYR A 66 3.768 4.429 2.451 1.00 0.00 C ATOM 881 CD1 TYR A 66 4.443 5.186 3.400 1.00 0.00 C ATOM 882 CD2 TYR A 66 3.991 4.711 1.108 1.00 0.00 C ATOM 883 CE1 TYR A 66 5.311 6.194 3.025 1.00 0.00 C ATOM 884 CE2 TYR A 66 4.858 5.716 0.724 1.00 0.00 C ATOM 885 CZ TYR A 66 5.515 6.454 1.686 1.00 0.00 C ATOM 886 OH TYR A 66 6.380 7.456 1.308 1.00 0.00 O ATOM 0 H TYR A 66 3.587 0.992 1.645 1.00 0.00 H new ATOM 0 HA TYR A 66 4.269 2.407 4.157 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.219 3.033 2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.131 3.717 3.616 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.287 4.983 4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.478 4.135 0.352 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.826 6.775 3.776 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.020 5.922 -0.324 1.00 0.00 H new ATOM 0 HH TYR A 66 6.412 7.509 0.330 1.00 0.00 H new ATOM 896 N ASN A 67 2.460 1.296 5.458 1.00 0.00 N ATOM 897 CA ASN A 67 1.536 0.493 6.251 1.00 0.00 C ATOM 898 C ASN A 67 0.089 0.838 5.915 1.00 0.00 C ATOM 899 O ASN A 67 -0.362 1.961 6.142 1.00 0.00 O ATOM 900 CB ASN A 67 1.791 0.712 7.744 1.00 0.00 C ATOM 901 CG ASN A 67 1.794 2.181 8.121 1.00 0.00 C ATOM 902 OD1 ASN A 67 2.944 2.827 7.974 1.00 0.00 O flip ATOM 903 ND2 ASN A 67 0.773 2.728 8.539 1.00 0.00 N flip ATOM 0 H ASN A 67 3.047 1.926 6.004 1.00 0.00 H new ATOM 0 HA ASN A 67 1.706 -0.556 6.010 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.025 0.193 8.320 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.749 0.268 8.015 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.089 2.192 8.636 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.790 3.717 8.788 1.00 0.00 H new ATOM 910 N PHE A 68 -0.635 -0.135 5.373 1.00 0.00 N ATOM 911 CA PHE A 68 -2.032 0.065 5.005 1.00 0.00 C ATOM 912 C PHE A 68 -2.961 -0.617 6.006 1.00 0.00 C ATOM 913 O PHE A 68 -2.669 -1.707 6.495 1.00 0.00 O ATOM 914 CB PHE A 68 -2.294 -0.477 3.598 1.00 0.00 C ATOM 915 CG PHE A 68 -3.725 -0.347 3.162 1.00 0.00 C ATOM 916 CD1 PHE A 68 -4.664 -1.298 3.528 1.00 0.00 C ATOM 917 CD2 PHE A 68 -4.132 0.726 2.386 1.00 0.00 C ATOM 918 CE1 PHE A 68 -5.982 -1.181 3.129 1.00 0.00 C ATOM 919 CE2 PHE A 68 -5.448 0.848 1.984 1.00 0.00 C ATOM 920 CZ PHE A 68 -6.374 -0.107 2.355 1.00 0.00 C ATOM 0 H PHE A 68 -0.278 -1.070 5.179 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.235 1.136 5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.657 0.052 2.889 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.006 -1.528 3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.362 -2.141 4.132 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.412 1.476 2.092 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.704 -1.929 3.422 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.753 1.690 1.380 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.403 -0.014 2.040 1.00 0.00 H new ATOM 930 N GLN A 69 -4.080 0.035 6.304 1.00 0.00 N ATOM 931 CA GLN A 69 -5.051 -0.507 7.247 1.00 0.00 C ATOM 932 C GLN A 69 -6.453 -0.502 6.648 1.00 0.00 C ATOM 933 O GLN A 69 -6.977 0.547 6.275 1.00 0.00 O ATOM 934 CB GLN A 69 -5.037 0.300 8.547 1.00 0.00 C ATOM 935 CG GLN A 69 -3.778 0.097 9.375 1.00 0.00 C ATOM 936 CD GLN A 69 -3.526 1.236 10.343 1.00 0.00 C ATOM 937 OE1 GLN A 69 -4.461 1.794 10.920 1.00 0.00 O ATOM 938 NE2 GLN A 69 -2.259 1.588 10.527 1.00 0.00 N ATOM 0 H GLN A 69 -4.337 0.939 5.906 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.772 -1.538 7.464 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.139 1.359 8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -5.905 0.023 9.146 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.861 -0.836 9.932 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.922 -0.004 8.708 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.516 1.098 10.028 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.029 2.348 11.167 1.00 0.00 H new ATOM 947 N GLY A 70 -7.057 -1.683 6.557 1.00 0.00 N ATOM 948 CA GLY A 70 -8.393 -1.793 6.001 1.00 0.00 C ATOM 949 C GLY A 70 -9.409 -2.263 7.022 1.00 0.00 C ATOM 950 O GLY A 70 -9.091 -2.408 8.203 1.00 0.00 O ATOM 0 H GLY A 70 -6.645 -2.566 6.859 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.700 -0.824 5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.378 -2.488 5.162 1.00 0.00 H new ATOM 954 N SER A 71 -10.636 -2.501 6.569 1.00 0.00 N ATOM 955 CA SER A 71 -11.704 -2.953 7.453 1.00 0.00 C ATOM 956 C SER A 71 -12.192 -4.341 7.050 1.00 0.00 C ATOM 957 O SER A 71 -12.472 -5.184 7.901 1.00 0.00 O ATOM 958 CB SER A 71 -12.869 -1.962 7.427 1.00 0.00 C ATOM 959 OG SER A 71 -12.470 -0.691 7.911 1.00 0.00 O ATOM 0 H SER A 71 -10.915 -2.388 5.594 1.00 0.00 H new ATOM 0 HA SER A 71 -11.305 -3.008 8.466 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.245 -1.865 6.408 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.689 -2.345 8.034 1.00 0.00 H new ATOM 0 HG SER A 71 -13.232 -0.076 7.882 1.00 0.00 H new ATOM 965 N GLY A 72 -12.292 -4.570 5.744 1.00 0.00 N ATOM 966 CA GLY A 72 -12.747 -5.856 5.249 1.00 0.00 C ATOM 967 C GLY A 72 -12.972 -5.855 3.750 1.00 0.00 C ATOM 968 O GLY A 72 -13.187 -4.803 3.149 1.00 0.00 O ATOM 0 H GLY A 72 -12.066 -3.888 5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.012 -6.620 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -13.675 -6.128 5.752 1.00 0.00 H new ATOM 972 N ALA A 73 -12.920 -7.037 3.145 1.00 0.00 N ATOM 973 CA ALA A 73 -13.119 -7.168 1.707 1.00 0.00 C ATOM 974 C ALA A 73 -14.178 -6.190 1.208 1.00 0.00 C ATOM 975 O ALA A 73 -15.088 -5.798 1.939 1.00 0.00 O ATOM 976 CB ALA A 73 -13.509 -8.596 1.356 1.00 0.00 C ATOM 0 H ALA A 73 -12.742 -7.917 3.628 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.178 -6.928 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.654 -8.679 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.717 -9.277 1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.435 -8.857 1.868 1.00 0.00 H new ATOM 982 N PRO A 74 -14.059 -5.786 -0.065 1.00 0.00 N ATOM 983 CA PRO A 74 -12.980 -6.246 -0.944 1.00 0.00 C ATOM 984 C PRO A 74 -11.622 -5.685 -0.536 1.00 0.00 C ATOM 985 O PRO A 74 -10.594 -6.048 -1.108 1.00 0.00 O ATOM 986 CB PRO A 74 -13.389 -5.710 -2.318 1.00 0.00 C ATOM 987 CG PRO A 74 -14.246 -4.528 -2.024 1.00 0.00 C ATOM 988 CD PRO A 74 -14.969 -4.849 -0.745 1.00 0.00 C ATOM 0 HA PRO A 74 -12.862 -7.329 -0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.517 -5.430 -2.909 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.934 -6.461 -2.890 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.643 -3.626 -1.916 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.951 -4.345 -2.835 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.145 -3.955 -0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.942 -5.301 -0.936 1.00 0.00 H new ATOM 996 N GLN A 75 -11.625 -4.801 0.456 1.00 0.00 N ATOM 997 CA GLN A 75 -10.392 -4.191 0.939 1.00 0.00 C ATOM 998 C GLN A 75 -9.542 -5.206 1.695 1.00 0.00 C ATOM 999 O GLN A 75 -10.069 -6.108 2.349 1.00 0.00 O ATOM 1000 CB GLN A 75 -10.709 -2.998 1.843 1.00 0.00 C ATOM 1001 CG GLN A 75 -11.091 -1.740 1.080 1.00 0.00 C ATOM 1002 CD GLN A 75 -11.587 -0.634 1.990 1.00 0.00 C ATOM 1003 OE1 GLN A 75 -10.883 -0.206 2.906 1.00 0.00 O ATOM 1004 NE2 GLN A 75 -12.803 -0.163 1.743 1.00 0.00 N ATOM 0 H GLN A 75 -12.467 -4.491 0.941 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.826 -3.843 0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.525 -3.268 2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -9.841 -2.785 2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.227 -1.384 0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.866 -1.982 0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.352 -0.547 0.974 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.189 0.583 2.322 1.00 0.00 H new ATOM 1013 N LEU A 76 -8.226 -5.055 1.602 1.00 0.00 N ATOM 1014 CA LEU A 76 -7.302 -5.960 2.277 1.00 0.00 C ATOM 1015 C LEU A 76 -6.193 -5.182 2.978 1.00 0.00 C ATOM 1016 O LEU A 76 -5.737 -4.150 2.485 1.00 0.00 O ATOM 1017 CB LEU A 76 -6.695 -6.943 1.274 1.00 0.00 C ATOM 1018 CG LEU A 76 -5.444 -7.688 1.739 1.00 0.00 C ATOM 1019 CD1 LEU A 76 -5.820 -8.855 2.639 1.00 0.00 C ATOM 1020 CD2 LEU A 76 -4.637 -8.174 0.543 1.00 0.00 C ATOM 0 H LEU A 76 -7.774 -4.314 1.066 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.862 -6.517 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.455 -7.679 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.451 -6.397 0.363 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.826 -6.997 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.916 -9.373 2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.355 -8.483 3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.459 -9.547 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.750 -8.702 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.247 -8.848 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.335 -7.320 -0.063 1.00 0.00 H new ATOM 1032 N SER A 77 -5.763 -5.684 4.131 1.00 0.00 N ATOM 1033 CA SER A 77 -4.708 -5.035 4.901 1.00 0.00 C ATOM 1034 C SER A 77 -3.332 -5.396 4.349 1.00 0.00 C ATOM 1035 O SER A 77 -3.178 -6.384 3.631 1.00 0.00 O ATOM 1036 CB SER A 77 -4.801 -5.439 6.374 1.00 0.00 C ATOM 1037 OG SER A 77 -4.746 -6.847 6.521 1.00 0.00 O ATOM 0 H SER A 77 -6.129 -6.538 4.553 1.00 0.00 H new ATOM 0 HA SER A 77 -4.842 -3.956 4.818 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.985 -4.980 6.932 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.731 -5.062 6.800 1.00 0.00 H new ATOM 0 HG SER A 77 -4.806 -7.079 7.471 1.00 0.00 H new ATOM 1043 N LEU A 78 -2.335 -4.587 4.690 1.00 0.00 N ATOM 1044 CA LEU A 78 -0.970 -4.820 4.230 1.00 0.00 C ATOM 1045 C LEU A 78 0.043 -4.276 5.232 1.00 0.00 C ATOM 1046 O LEU A 78 -0.256 -3.356 5.993 1.00 0.00 O ATOM 1047 CB LEU A 78 -0.754 -4.166 2.864 1.00 0.00 C ATOM 1048 CG LEU A 78 -1.180 -4.992 1.650 1.00 0.00 C ATOM 1049 CD1 LEU A 78 -1.091 -4.160 0.380 1.00 0.00 C ATOM 1050 CD2 LEU A 78 -0.324 -6.245 1.530 1.00 0.00 C ATOM 0 H LEU A 78 -2.446 -3.764 5.283 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.822 -5.896 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.299 -3.222 2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.304 -3.926 2.762 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.217 -5.297 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.398 -4.765 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.747 -3.294 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.064 -3.824 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.641 -6.821 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.722 -5.961 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.439 -6.852 2.428 1.00 0.00 H new ATOM 1062 N GLN A 79 1.242 -4.850 5.225 1.00 0.00 N ATOM 1063 CA GLN A 79 2.299 -4.422 6.133 1.00 0.00 C ATOM 1064 C GLN A 79 3.577 -4.097 5.367 1.00 0.00 C ATOM 1065 O GLN A 79 4.009 -4.866 4.507 1.00 0.00 O ATOM 1066 CB GLN A 79 2.577 -5.507 7.175 1.00 0.00 C ATOM 1067 CG GLN A 79 1.605 -5.493 8.343 1.00 0.00 C ATOM 1068 CD GLN A 79 1.706 -6.738 9.202 1.00 0.00 C ATOM 1069 OE1 GLN A 79 2.598 -7.566 9.013 1.00 0.00 O ATOM 1070 NE2 GLN A 79 0.791 -6.876 10.154 1.00 0.00 N ATOM 0 H GLN A 79 1.505 -5.612 4.601 1.00 0.00 H new ATOM 0 HA GLN A 79 1.962 -3.518 6.641 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.536 -6.483 6.691 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.591 -5.382 7.555 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.796 -4.615 8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 79 0.588 -5.400 7.963 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.070 -6.165 10.275 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.809 -7.693 10.764 1.00 0.00 H new ATOM 1079 N ILE A 80 4.176 -2.954 5.682 1.00 0.00 N ATOM 1080 CA ILE A 80 5.404 -2.528 5.023 1.00 0.00 C ATOM 1081 C ILE A 80 6.394 -3.682 4.908 1.00 0.00 C ATOM 1082 O ILE A 80 6.748 -4.313 5.904 1.00 0.00 O ATOM 1083 CB ILE A 80 6.074 -1.365 5.778 1.00 0.00 C ATOM 1084 CG1 ILE A 80 5.149 -0.147 5.807 1.00 0.00 C ATOM 1085 CG2 ILE A 80 7.405 -1.011 5.132 1.00 0.00 C ATOM 1086 CD1 ILE A 80 5.688 1.001 6.631 1.00 0.00 C ATOM 0 H ILE A 80 3.831 -2.306 6.390 1.00 0.00 H new ATOM 0 HA ILE A 80 5.126 -2.190 4.025 1.00 0.00 H new ATOM 0 HB ILE A 80 6.263 -1.679 6.805 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.981 0.196 4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.180 -0.446 6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.866 -0.187 5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.065 -1.878 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.239 -0.713 4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.981 1.830 6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.829 0.675 7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.643 1.327 6.220 1.00 0.00 H new ATOM 1098 N GLY A 81 6.840 -3.953 3.685 1.00 0.00 N ATOM 1099 CA GLY A 81 7.787 -5.030 3.462 1.00 0.00 C ATOM 1100 C GLY A 81 7.105 -6.345 3.140 1.00 0.00 C ATOM 1101 O GLY A 81 7.667 -7.416 3.367 1.00 0.00 O ATOM 0 H GLY A 81 6.562 -3.446 2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.453 -4.760 2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.407 -5.154 4.350 1.00 0.00 H new ATOM 1105 N ASP A 82 5.888 -6.264 2.611 1.00 0.00 N ATOM 1106 CA ASP A 82 5.128 -7.457 2.258 1.00 0.00 C ATOM 1107 C ASP A 82 5.017 -7.602 0.744 1.00 0.00 C ATOM 1108 O ASP A 82 4.837 -6.618 0.027 1.00 0.00 O ATOM 1109 CB ASP A 82 3.732 -7.401 2.882 1.00 0.00 C ATOM 1110 CG ASP A 82 2.809 -6.446 2.150 1.00 0.00 C ATOM 1111 OD1 ASP A 82 2.562 -6.666 0.946 1.00 0.00 O ATOM 1112 OD2 ASP A 82 2.335 -5.478 2.781 1.00 0.00 O ATOM 0 H ASP A 82 5.408 -5.385 2.418 1.00 0.00 H new ATOM 0 HA ASP A 82 5.658 -8.325 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.295 -8.399 2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.815 -7.094 3.925 1.00 0.00 H new ATOM 1117 N VAL A 83 5.125 -8.837 0.263 1.00 0.00 N ATOM 1118 CA VAL A 83 5.037 -9.111 -1.166 1.00 0.00 C ATOM 1119 C VAL A 83 3.698 -9.748 -1.522 1.00 0.00 C ATOM 1120 O VAL A 83 3.404 -10.871 -1.112 1.00 0.00 O ATOM 1121 CB VAL A 83 6.174 -10.040 -1.630 1.00 0.00 C ATOM 1122 CG1 VAL A 83 5.990 -10.422 -3.091 1.00 0.00 C ATOM 1123 CG2 VAL A 83 7.526 -9.378 -1.410 1.00 0.00 C ATOM 0 H VAL A 83 5.274 -9.663 0.842 1.00 0.00 H new ATOM 0 HA VAL A 83 5.128 -8.153 -1.678 1.00 0.00 H new ATOM 0 HB VAL A 83 6.140 -10.952 -1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.803 -11.079 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.039 -10.939 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.996 -9.522 -3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.318 -10.049 -1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.573 -8.449 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.657 -9.161 -0.350 1.00 0.00 H new ATOM 1133 N VAL A 84 2.889 -9.023 -2.288 1.00 0.00 N ATOM 1134 CA VAL A 84 1.581 -9.517 -2.701 1.00 0.00 C ATOM 1135 C VAL A 84 1.530 -9.744 -4.207 1.00 0.00 C ATOM 1136 O VAL A 84 1.914 -8.874 -4.989 1.00 0.00 O ATOM 1137 CB VAL A 84 0.460 -8.540 -2.301 1.00 0.00 C ATOM 1138 CG1 VAL A 84 0.455 -8.320 -0.796 1.00 0.00 C ATOM 1139 CG2 VAL A 84 0.615 -7.220 -3.041 1.00 0.00 C ATOM 0 H VAL A 84 3.117 -8.091 -2.635 1.00 0.00 H new ATOM 0 HA VAL A 84 1.425 -10.466 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.498 -8.978 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.344 -7.627 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.292 -9.271 -0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.414 -7.904 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.186 -6.541 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.578 -6.774 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.564 -7.397 -4.115 1.00 0.00 H new ATOM 1149 N ARG A 85 1.052 -10.917 -4.608 1.00 0.00 N ATOM 1150 CA ARG A 85 0.951 -11.259 -6.022 1.00 0.00 C ATOM 1151 C ARG A 85 -0.173 -10.474 -6.692 1.00 0.00 C ATOM 1152 O ARG A 85 -1.352 -10.709 -6.424 1.00 0.00 O ATOM 1153 CB ARG A 85 0.710 -12.760 -6.190 1.00 0.00 C ATOM 1154 CG ARG A 85 1.975 -13.596 -6.084 1.00 0.00 C ATOM 1155 CD ARG A 85 3.121 -12.973 -6.866 1.00 0.00 C ATOM 1156 NE ARG A 85 4.027 -13.984 -7.407 1.00 0.00 N ATOM 1157 CZ ARG A 85 4.809 -13.781 -8.461 1.00 0.00 C ATOM 1158 NH1 ARG A 85 4.796 -12.611 -9.084 1.00 0.00 N ATOM 1159 NH2 ARG A 85 5.606 -14.749 -8.894 1.00 0.00 N ATOM 0 H ARG A 85 0.728 -11.647 -3.974 1.00 0.00 H new ATOM 0 HA ARG A 85 1.893 -10.994 -6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.000 -13.092 -5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.247 -12.939 -7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.260 -13.696 -5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.781 -14.601 -6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.719 -12.372 -7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.678 -12.297 -6.217 1.00 0.00 H new ATOM 0 HE ARG A 85 4.061 -14.895 -6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.184 -11.864 -8.754 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.398 -12.457 -9.893 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.619 -15.651 -8.417 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.206 -14.592 -9.704 1.00 0.00 H new ATOM 1173 N ILE A 86 0.200 -9.541 -7.562 1.00 0.00 N ATOM 1174 CA ILE A 86 -0.777 -8.723 -8.269 1.00 0.00 C ATOM 1175 C ILE A 86 -1.446 -9.512 -9.389 1.00 0.00 C ATOM 1176 O ILE A 86 -0.776 -10.040 -10.275 1.00 0.00 O ATOM 1177 CB ILE A 86 -0.127 -7.459 -8.863 1.00 0.00 C ATOM 1178 CG1 ILE A 86 0.477 -6.599 -7.752 1.00 0.00 C ATOM 1179 CG2 ILE A 86 -1.150 -6.663 -9.660 1.00 0.00 C ATOM 1180 CD1 ILE A 86 1.462 -5.567 -8.254 1.00 0.00 C ATOM 0 H ILE A 86 1.171 -9.333 -7.794 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.529 -8.426 -7.538 1.00 0.00 H new ATOM 0 HB ILE A 86 0.674 -7.763 -9.537 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.327 -6.092 -7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.978 -7.248 -7.033 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.676 -5.773 -10.074 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.537 -7.278 -10.472 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.970 -6.367 -9.006 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.850 -4.994 -7.412 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.286 -6.068 -8.762 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.961 -4.894 -8.950 1.00 0.00 H new ATOM 1192 N GLN A 87 -2.773 -9.584 -9.343 1.00 0.00 N ATOM 1193 CA GLN A 87 -3.533 -10.308 -10.356 1.00 0.00 C ATOM 1194 C GLN A 87 -4.322 -9.344 -11.236 1.00 0.00 C ATOM 1195 O GLN A 87 -4.396 -9.519 -12.452 1.00 0.00 O ATOM 1196 CB GLN A 87 -4.484 -11.306 -9.693 1.00 0.00 C ATOM 1197 CG GLN A 87 -3.780 -12.322 -8.808 1.00 0.00 C ATOM 1198 CD GLN A 87 -3.178 -13.467 -9.599 1.00 0.00 C ATOM 1199 OE1 GLN A 87 -2.813 -13.307 -10.764 1.00 0.00 O ATOM 1200 NE2 GLN A 87 -3.071 -14.630 -8.968 1.00 0.00 N ATOM 0 H GLN A 87 -3.343 -9.151 -8.617 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.828 -10.851 -10.985 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.212 -10.759 -9.095 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.040 -11.835 -10.467 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.993 -11.822 -8.243 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.490 -12.720 -8.083 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.387 -14.717 -8.002 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.673 -15.437 -9.449 1.00 0.00 H new ATOM 1209 N GLU A 88 -4.909 -8.327 -10.614 1.00 0.00 N ATOM 1210 CA GLU A 88 -5.693 -7.336 -11.342 1.00 0.00 C ATOM 1211 C GLU A 88 -5.402 -5.928 -10.830 1.00 0.00 C ATOM 1212 O GLU A 88 -4.896 -5.750 -9.721 1.00 0.00 O ATOM 1213 CB GLU A 88 -7.187 -7.639 -11.212 1.00 0.00 C ATOM 1214 CG GLU A 88 -8.059 -6.815 -12.143 1.00 0.00 C ATOM 1215 CD GLU A 88 -7.823 -7.143 -13.605 1.00 0.00 C ATOM 1216 OE1 GLU A 88 -7.581 -8.328 -13.915 1.00 0.00 O ATOM 1217 OE2 GLU A 88 -7.881 -6.215 -14.439 1.00 0.00 O ATOM 0 H GLU A 88 -4.857 -8.167 -9.608 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.409 -7.387 -12.393 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.353 -8.697 -11.414 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.497 -7.458 -10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.108 -6.988 -11.900 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.863 -5.756 -11.976 1.00 0.00 H new ATOM 1224 N THR A 89 -5.726 -4.929 -11.645 1.00 0.00 N ATOM 1225 CA THR A 89 -5.498 -3.538 -11.277 1.00 0.00 C ATOM 1226 C THR A 89 -6.673 -2.660 -11.693 1.00 0.00 C ATOM 1227 O THR A 89 -6.982 -2.541 -12.879 1.00 0.00 O ATOM 1228 CB THR A 89 -4.210 -2.990 -11.919 1.00 0.00 C ATOM 1229 OG1 THR A 89 -3.081 -3.753 -11.479 1.00 0.00 O ATOM 1230 CG2 THR A 89 -4.009 -1.525 -11.563 1.00 0.00 C ATOM 0 H THR A 89 -6.147 -5.058 -12.565 1.00 0.00 H new ATOM 0 HA THR A 89 -5.394 -3.511 -10.192 1.00 0.00 H new ATOM 0 HB THR A 89 -4.305 -3.074 -13.002 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.463 -3.171 -10.989 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.093 -1.160 -12.028 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.856 -0.943 -11.925 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.933 -1.421 -10.481 1.00 0.00 H new ATOM 1238 N CYS A 90 -7.324 -2.046 -10.711 1.00 0.00 N ATOM 1239 CA CYS A 90 -8.466 -1.178 -10.976 1.00 0.00 C ATOM 1240 C CYS A 90 -8.126 0.276 -10.668 1.00 0.00 C ATOM 1241 O CYS A 90 -7.715 0.606 -9.557 1.00 0.00 O ATOM 1242 CB CYS A 90 -9.672 -1.620 -10.146 1.00 0.00 C ATOM 1243 SG CYS A 90 -9.347 -1.728 -8.371 1.00 0.00 S ATOM 0 H CYS A 90 -7.081 -2.133 -9.724 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.714 -1.257 -12.034 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.490 -0.920 -10.313 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.008 -2.594 -10.503 1.00 0.00 H new ATOM 0 HG CYS A 90 -8.069 -1.628 -8.157 1.00 0.00 H new ATOM 1249 N GLY A 91 -8.300 1.142 -11.662 1.00 0.00 N ATOM 1250 CA GLY A 91 -8.005 2.551 -11.478 1.00 0.00 C ATOM 1251 C GLY A 91 -6.738 2.779 -10.678 1.00 0.00 C ATOM 1252 O GLY A 91 -5.637 2.511 -11.157 1.00 0.00 O ATOM 0 H GLY A 91 -8.640 0.893 -12.591 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.906 3.029 -12.453 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.842 3.031 -10.971 1.00 0.00 H new ATOM 1256 N ASP A 92 -6.894 3.277 -9.456 1.00 0.00 N ATOM 1257 CA ASP A 92 -5.752 3.541 -8.587 1.00 0.00 C ATOM 1258 C ASP A 92 -5.712 2.552 -7.427 1.00 0.00 C ATOM 1259 O ASP A 92 -5.439 2.928 -6.287 1.00 0.00 O ATOM 1260 CB ASP A 92 -5.813 4.972 -8.052 1.00 0.00 C ATOM 1261 CG ASP A 92 -4.437 5.547 -7.778 1.00 0.00 C ATOM 1262 OD1 ASP A 92 -3.658 4.900 -7.047 1.00 0.00 O ATOM 1263 OD2 ASP A 92 -4.138 6.643 -8.296 1.00 0.00 O ATOM 0 H ASP A 92 -7.799 3.506 -9.045 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.842 3.419 -9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.331 5.605 -8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.400 4.989 -7.134 1.00 0.00 H new ATOM 1268 N TRP A 93 -5.986 1.287 -7.725 1.00 0.00 N ATOM 1269 CA TRP A 93 -5.983 0.244 -6.705 1.00 0.00 C ATOM 1270 C TRP A 93 -5.556 -1.095 -7.298 1.00 0.00 C ATOM 1271 O TRP A 93 -6.003 -1.476 -8.380 1.00 0.00 O ATOM 1272 CB TRP A 93 -7.369 0.116 -6.072 1.00 0.00 C ATOM 1273 CG TRP A 93 -7.760 1.309 -5.254 1.00 0.00 C ATOM 1274 CD1 TRP A 93 -8.004 2.573 -5.712 1.00 0.00 C ATOM 1275 CD2 TRP A 93 -7.950 1.351 -3.835 1.00 0.00 C ATOM 1276 NE1 TRP A 93 -8.335 3.397 -4.663 1.00 0.00 N ATOM 1277 CE2 TRP A 93 -8.310 2.672 -3.502 1.00 0.00 C ATOM 1278 CE3 TRP A 93 -7.854 0.401 -2.815 1.00 0.00 C ATOM 1279 CZ2 TRP A 93 -8.571 3.063 -2.192 1.00 0.00 C ATOM 1280 CZ3 TRP A 93 -8.114 0.792 -1.515 1.00 0.00 C ATOM 1281 CH2 TRP A 93 -8.469 2.113 -1.212 1.00 0.00 C ATOM 0 H TRP A 93 -6.213 0.959 -8.664 1.00 0.00 H new ATOM 0 HA TRP A 93 -5.265 0.526 -5.935 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -8.108 -0.034 -6.859 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.392 -0.772 -5.440 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -7.945 2.879 -6.746 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.563 4.389 -4.737 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -7.582 -0.620 -3.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -8.845 4.081 -1.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -8.042 0.066 -0.718 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -8.666 2.387 -0.186 1.00 0.00 H new ATOM 1292 N TYR A 94 -4.689 -1.803 -6.584 1.00 0.00 N ATOM 1293 CA TYR A 94 -4.200 -3.099 -7.041 1.00 0.00 C ATOM 1294 C TYR A 94 -5.038 -4.233 -6.459 1.00 0.00 C ATOM 1295 O TYR A 94 -5.654 -4.087 -5.404 1.00 0.00 O ATOM 1296 CB TYR A 94 -2.732 -3.281 -6.650 1.00 0.00 C ATOM 1297 CG TYR A 94 -1.772 -2.507 -7.525 1.00 0.00 C ATOM 1298 CD1 TYR A 94 -1.888 -2.533 -8.909 1.00 0.00 C ATOM 1299 CD2 TYR A 94 -0.749 -1.750 -6.967 1.00 0.00 C ATOM 1300 CE1 TYR A 94 -1.012 -1.828 -9.712 1.00 0.00 C ATOM 1301 CE2 TYR A 94 0.130 -1.041 -7.762 1.00 0.00 C ATOM 1302 CZ TYR A 94 -0.005 -1.083 -9.134 1.00 0.00 C ATOM 1303 OH TYR A 94 0.868 -0.379 -9.930 1.00 0.00 O ATOM 0 H TYR A 94 -4.310 -1.502 -5.686 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.286 -3.129 -8.127 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.599 -2.968 -5.614 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.481 -4.341 -6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.676 -3.114 -9.365 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.639 -1.715 -5.893 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.115 -1.860 -10.787 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.919 -0.457 -7.312 1.00 0.00 H new ATOM 0 HH TYR A 94 1.516 0.093 -9.367 1.00 0.00 H new ATOM 1313 N ARG A 95 -5.054 -5.365 -7.156 1.00 0.00 N ATOM 1314 CA ARG A 95 -5.816 -6.525 -6.710 1.00 0.00 C ATOM 1315 C ARG A 95 -4.904 -7.735 -6.523 1.00 0.00 C ATOM 1316 O ARG A 95 -4.073 -8.036 -7.378 1.00 0.00 O ATOM 1317 CB ARG A 95 -6.919 -6.856 -7.717 1.00 0.00 C ATOM 1318 CG ARG A 95 -8.151 -7.484 -7.086 1.00 0.00 C ATOM 1319 CD ARG A 95 -8.046 -9.001 -7.049 1.00 0.00 C ATOM 1320 NE ARG A 95 -8.776 -9.573 -5.921 1.00 0.00 N ATOM 1321 CZ ARG A 95 -8.685 -10.847 -5.557 1.00 0.00 C ATOM 1322 NH1 ARG A 95 -7.898 -11.677 -6.228 1.00 0.00 N ATOM 1323 NH2 ARG A 95 -9.380 -11.293 -4.519 1.00 0.00 N ATOM 0 H ARG A 95 -4.548 -5.503 -8.031 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.271 -6.282 -5.750 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.212 -5.943 -8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.520 -7.536 -8.470 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.277 -7.102 -6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.038 -7.193 -7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.435 -9.414 -7.980 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.997 -9.290 -6.986 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.389 -8.961 -5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.361 -11.337 -7.026 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.830 -12.655 -5.946 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.985 -10.657 -3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.309 -12.272 -4.240 1.00 0.00 H new ATOM 1337 N GLY A 96 -5.067 -8.424 -5.397 1.00 0.00 N ATOM 1338 CA GLY A 96 -4.252 -9.592 -5.118 1.00 0.00 C ATOM 1339 C GLY A 96 -4.492 -10.147 -3.728 1.00 0.00 C ATOM 1340 O GLY A 96 -5.576 -9.989 -3.167 1.00 0.00 O ATOM 0 H GLY A 96 -5.748 -8.194 -4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.465 -10.365 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.199 -9.331 -5.225 1.00 0.00 H new ATOM 1344 N TYR A 97 -3.478 -10.801 -3.171 1.00 0.00 N ATOM 1345 CA TYR A 97 -3.585 -11.385 -1.840 1.00 0.00 C ATOM 1346 C TYR A 97 -2.205 -11.589 -1.222 1.00 0.00 C ATOM 1347 O TYR A 97 -1.197 -11.643 -1.928 1.00 0.00 O ATOM 1348 CB TYR A 97 -4.329 -12.720 -1.904 1.00 0.00 C ATOM 1349 CG TYR A 97 -3.656 -13.747 -2.787 1.00 0.00 C ATOM 1350 CD1 TYR A 97 -2.424 -14.287 -2.441 1.00 0.00 C ATOM 1351 CD2 TYR A 97 -4.252 -14.176 -3.966 1.00 0.00 C ATOM 1352 CE1 TYR A 97 -1.804 -15.225 -3.244 1.00 0.00 C ATOM 1353 CE2 TYR A 97 -3.641 -15.115 -4.775 1.00 0.00 C ATOM 1354 CZ TYR A 97 -2.417 -15.636 -4.410 1.00 0.00 C ATOM 1355 OH TYR A 97 -1.804 -16.570 -5.214 1.00 0.00 O ATOM 0 H TYR A 97 -2.573 -10.940 -3.621 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.146 -10.693 -1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.420 -13.124 -0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.341 -12.545 -2.270 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.942 -13.968 -1.528 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.209 -13.769 -4.255 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.845 -15.634 -2.961 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.119 -15.439 -5.688 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.368 -16.750 -5.995 1.00 0.00 H new ATOM 1365 N LEU A 98 -2.168 -11.703 0.101 1.00 0.00 N ATOM 1366 CA LEU A 98 -0.912 -11.902 0.817 1.00 0.00 C ATOM 1367 C LEU A 98 -0.310 -13.265 0.491 1.00 0.00 C ATOM 1368 O LEU A 98 -0.888 -14.303 0.814 1.00 0.00 O ATOM 1369 CB LEU A 98 -1.137 -11.778 2.325 1.00 0.00 C ATOM 1370 CG LEU A 98 0.105 -11.477 3.165 1.00 0.00 C ATOM 1371 CD1 LEU A 98 0.845 -10.270 2.611 1.00 0.00 C ATOM 1372 CD2 LEU A 98 -0.279 -11.247 4.620 1.00 0.00 C ATOM 0 H LEU A 98 -2.993 -11.661 0.700 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.212 -11.130 0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.869 -10.990 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.578 -12.708 2.684 1.00 0.00 H new ATOM 0 HG LEU A 98 0.770 -12.339 3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.726 -10.071 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.153 -10.471 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.188 -9.401 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.617 -11.034 5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.964 -10.402 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.765 -12.140 5.014 1.00 0.00 H new ATOM 1384 N ILE A 99 0.855 -13.254 -0.147 1.00 0.00 N ATOM 1385 CA ILE A 99 1.537 -14.489 -0.513 1.00 0.00 C ATOM 1386 C ILE A 99 1.924 -15.291 0.725 1.00 0.00 C ATOM 1387 O ILE A 99 1.563 -16.460 0.859 1.00 0.00 O ATOM 1388 CB ILE A 99 2.802 -14.209 -1.345 1.00 0.00 C ATOM 1389 CG1 ILE A 99 2.486 -13.234 -2.481 1.00 0.00 C ATOM 1390 CG2 ILE A 99 3.372 -15.507 -1.897 1.00 0.00 C ATOM 1391 CD1 ILE A 99 3.694 -12.862 -3.312 1.00 0.00 C ATOM 0 H ILE A 99 1.347 -12.403 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 99 0.837 -15.069 -1.115 1.00 0.00 H new ATOM 0 HB ILE A 99 3.551 -13.753 -0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.731 -13.678 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.051 -12.327 -2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.266 -15.292 -2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.630 -16.171 -1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.629 -15.989 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.395 -12.168 -4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.442 -12.389 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.117 -13.760 -3.762 1.00 0.00 H new ATOM 1403 N LYS A 100 2.660 -14.654 1.630 1.00 0.00 N ATOM 1404 CA LYS A 100 3.094 -15.305 2.860 1.00 0.00 C ATOM 1405 C LYS A 100 1.923 -15.995 3.553 1.00 0.00 C ATOM 1406 O LYS A 100 2.117 -16.864 4.403 1.00 0.00 O ATOM 1407 CB LYS A 100 3.730 -14.283 3.805 1.00 0.00 C ATOM 1408 CG LYS A 100 2.922 -13.004 3.950 1.00 0.00 C ATOM 1409 CD LYS A 100 3.659 -11.972 4.788 1.00 0.00 C ATOM 1410 CE LYS A 100 3.712 -12.378 6.253 1.00 0.00 C ATOM 1411 NZ LYS A 100 2.556 -11.837 7.021 1.00 0.00 N ATOM 0 H LYS A 100 2.968 -13.686 1.534 1.00 0.00 H new ATOM 0 HA LYS A 100 3.835 -16.061 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.855 -14.738 4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.727 -14.034 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.713 -12.591 2.963 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.961 -13.230 4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.673 -11.849 4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.164 -11.005 4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.721 -13.465 6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.642 -12.020 6.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.611 -12.164 8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.580 -10.798 6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.669 -12.171 6.594 1.00 0.00 H new ATOM 1425 N HIS A 101 0.708 -15.603 3.183 1.00 0.00 N ATOM 1426 CA HIS A 101 -0.494 -16.186 3.768 1.00 0.00 C ATOM 1427 C HIS A 101 -1.715 -15.901 2.898 1.00 0.00 C ATOM 1428 O HIS A 101 -2.214 -14.776 2.860 1.00 0.00 O ATOM 1429 CB HIS A 101 -0.718 -15.637 5.178 1.00 0.00 C ATOM 1430 CG HIS A 101 0.403 -15.940 6.124 1.00 0.00 C ATOM 1431 ND1 HIS A 101 0.596 -17.183 6.688 1.00 0.00 N ATOM 1432 CD2 HIS A 101 1.394 -15.152 6.603 1.00 0.00 C ATOM 1433 CE1 HIS A 101 1.657 -17.147 7.474 1.00 0.00 C ATOM 1434 NE2 HIS A 101 2.160 -15.926 7.440 1.00 0.00 N ATOM 0 H HIS A 101 0.530 -14.885 2.481 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.354 -17.266 3.824 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -0.853 -14.557 5.121 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -1.643 -16.053 5.578 1.00 0.00 H new ATOM 0 HD2 HIS A 101 1.553 -14.109 6.370 1.00 0.00 H new ATOM 0 HE1 HIS A 101 2.047 -17.975 8.047 1.00 0.00 H new ATOM 0 HE2 HIS A 101 2.983 -15.609 7.952 1.00 0.00 H new ATOM 1443 N LYS A 102 -2.191 -16.926 2.201 1.00 0.00 N ATOM 1444 CA LYS A 102 -3.353 -16.787 1.331 1.00 0.00 C ATOM 1445 C LYS A 102 -4.647 -16.907 2.130 1.00 0.00 C ATOM 1446 O LYS A 102 -5.660 -17.385 1.619 1.00 0.00 O ATOM 1447 CB LYS A 102 -3.321 -17.849 0.229 1.00 0.00 C ATOM 1448 CG LYS A 102 -2.445 -17.472 -0.953 1.00 0.00 C ATOM 1449 CD LYS A 102 -2.849 -18.226 -2.209 1.00 0.00 C ATOM 1450 CE LYS A 102 -2.093 -19.540 -2.337 1.00 0.00 C ATOM 1451 NZ LYS A 102 -0.776 -19.359 -3.008 1.00 0.00 N ATOM 0 H LYS A 102 -1.790 -17.864 2.221 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.318 -15.798 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.963 -18.788 0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.337 -18.025 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.517 -16.399 -1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.403 -17.687 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.921 -18.422 -2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.655 -17.607 -3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -1.940 -19.969 -1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.694 -20.251 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.292 -20.277 -3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -0.923 -18.973 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.192 -18.700 -2.455 1.00 0.00 H new ATOM 1465 N MET A 103 -4.606 -16.470 3.384 1.00 0.00 N ATOM 1466 CA MET A 103 -5.777 -16.526 4.251 1.00 0.00 C ATOM 1467 C MET A 103 -6.583 -15.234 4.161 1.00 0.00 C ATOM 1468 O MET A 103 -7.705 -15.155 4.662 1.00 0.00 O ATOM 1469 CB MET A 103 -5.353 -16.776 5.700 1.00 0.00 C ATOM 1470 CG MET A 103 -4.954 -18.217 5.976 1.00 0.00 C ATOM 1471 SD MET A 103 -3.916 -18.911 4.676 1.00 0.00 S ATOM 1472 CE MET A 103 -2.327 -18.959 5.502 1.00 0.00 C ATOM 0 H MET A 103 -3.775 -16.073 3.823 1.00 0.00 H new ATOM 0 HA MET A 103 -6.407 -17.350 3.916 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.515 -16.123 5.943 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.174 -16.501 6.363 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.422 -18.267 6.926 1.00 0.00 H new ATOM 0 HG3 MET A 103 -5.853 -18.825 6.082 1.00 0.00 H new ATOM 0 HE1 MET A 103 -1.530 -18.911 4.760 1.00 0.00 H new ATOM 0 HE2 MET A 103 -2.244 -18.110 6.180 1.00 0.00 H new ATOM 0 HE3 MET A 103 -2.239 -19.886 6.069 1.00 0.00 H new ATOM 1482 N LEU A 104 -6.005 -14.225 3.519 1.00 0.00 N ATOM 1483 CA LEU A 104 -6.670 -12.936 3.363 1.00 0.00 C ATOM 1484 C LEU A 104 -6.466 -12.385 1.955 1.00 0.00 C ATOM 1485 O LEU A 104 -5.350 -12.378 1.438 1.00 0.00 O ATOM 1486 CB LEU A 104 -6.141 -11.939 4.395 1.00 0.00 C ATOM 1487 CG LEU A 104 -4.620 -11.871 4.545 1.00 0.00 C ATOM 1488 CD1 LEU A 104 -4.188 -10.480 4.979 1.00 0.00 C ATOM 1489 CD2 LEU A 104 -4.136 -12.917 5.539 1.00 0.00 C ATOM 0 H LEU A 104 -5.077 -14.274 3.098 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.738 -13.084 3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.505 -10.946 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.571 -12.188 5.365 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.168 -12.083 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.103 -10.451 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.502 -9.752 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.649 -10.238 5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.052 -12.855 5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.596 -12.736 6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.413 -13.910 5.186 1.00 0.00 H new ATOM 1501 N GLN A 105 -7.552 -11.923 1.343 1.00 0.00 N ATOM 1502 CA GLN A 105 -7.491 -11.369 -0.004 1.00 0.00 C ATOM 1503 C GLN A 105 -8.316 -10.090 -0.104 1.00 0.00 C ATOM 1504 O GLN A 105 -9.187 -9.835 0.726 1.00 0.00 O ATOM 1505 CB GLN A 105 -7.991 -12.394 -1.023 1.00 0.00 C ATOM 1506 CG GLN A 105 -7.463 -13.799 -0.783 1.00 0.00 C ATOM 1507 CD GLN A 105 -8.156 -14.838 -1.642 1.00 0.00 C ATOM 1508 OE1 GLN A 105 -9.182 -15.397 -1.253 1.00 0.00 O ATOM 1509 NE2 GLN A 105 -7.598 -15.101 -2.818 1.00 0.00 N ATOM 0 H GLN A 105 -8.484 -11.921 1.758 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.451 -11.127 -0.224 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.081 -12.415 -0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.700 -12.072 -2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.392 -13.820 -0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.593 -14.057 0.268 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.747 -14.613 -3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -8.020 -15.791 -3.440 1.00 0.00 H new ATOM 1518 N GLY A 106 -8.034 -9.288 -1.126 1.00 0.00 N ATOM 1519 CA GLY A 106 -8.758 -8.045 -1.316 1.00 0.00 C ATOM 1520 C GLY A 106 -8.030 -7.083 -2.233 1.00 0.00 C ATOM 1521 O GLY A 106 -7.329 -7.504 -3.154 1.00 0.00 O ATOM 0 H GLY A 106 -7.317 -9.477 -1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -9.743 -8.262 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.917 -7.569 -0.348 1.00 0.00 H new ATOM 1525 N ILE A 107 -8.195 -5.789 -1.982 1.00 0.00 N ATOM 1526 CA ILE A 107 -7.548 -4.765 -2.793 1.00 0.00 C ATOM 1527 C ILE A 107 -6.744 -3.803 -1.926 1.00 0.00 C ATOM 1528 O ILE A 107 -6.859 -3.811 -0.700 1.00 0.00 O ATOM 1529 CB ILE A 107 -8.576 -3.963 -3.613 1.00 0.00 C ATOM 1530 CG1 ILE A 107 -9.643 -3.368 -2.692 1.00 0.00 C ATOM 1531 CG2 ILE A 107 -9.216 -4.848 -4.672 1.00 0.00 C ATOM 1532 CD1 ILE A 107 -10.581 -2.411 -3.393 1.00 0.00 C ATOM 0 H ILE A 107 -8.771 -5.425 -1.223 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.875 -5.283 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.059 -3.145 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.225 -4.178 -2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.152 -2.846 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.940 -4.267 -5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.445 -5.228 -5.343 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.722 -5.685 -4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.311 -2.028 -2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.010 -1.581 -3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.099 -2.933 -4.197 1.00 0.00 H new ATOM 1544 N PHE A 108 -5.930 -2.973 -2.570 1.00 0.00 N ATOM 1545 CA PHE A 108 -5.107 -2.003 -1.857 1.00 0.00 C ATOM 1546 C PHE A 108 -4.652 -0.885 -2.791 1.00 0.00 C ATOM 1547 O PHE A 108 -4.674 -1.017 -4.015 1.00 0.00 O ATOM 1548 CB PHE A 108 -3.890 -2.693 -1.237 1.00 0.00 C ATOM 1549 CG PHE A 108 -3.431 -3.900 -2.003 1.00 0.00 C ATOM 1550 CD1 PHE A 108 -3.938 -5.156 -1.712 1.00 0.00 C ATOM 1551 CD2 PHE A 108 -2.492 -3.779 -3.015 1.00 0.00 C ATOM 1552 CE1 PHE A 108 -3.517 -6.269 -2.415 1.00 0.00 C ATOM 1553 CE2 PHE A 108 -2.067 -4.888 -3.722 1.00 0.00 C ATOM 1554 CZ PHE A 108 -2.581 -6.135 -3.422 1.00 0.00 C ATOM 0 H PHE A 108 -5.823 -2.953 -3.584 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.711 -1.565 -1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.069 -1.978 -1.175 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.132 -2.990 -0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -4.671 -5.267 -0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.087 -2.807 -3.254 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -3.919 -7.243 -2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.334 -4.780 -4.508 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.252 -7.003 -3.974 1.00 0.00 H new ATOM 1564 N PRO A 109 -4.229 0.243 -2.201 1.00 0.00 N ATOM 1565 CA PRO A 109 -3.760 1.406 -2.960 1.00 0.00 C ATOM 1566 C PRO A 109 -2.424 1.148 -3.648 1.00 0.00 C ATOM 1567 O PRO A 109 -1.500 0.598 -3.048 1.00 0.00 O ATOM 1568 CB PRO A 109 -3.611 2.491 -1.891 1.00 0.00 C ATOM 1569 CG PRO A 109 -3.387 1.744 -0.622 1.00 0.00 C ATOM 1570 CD PRO A 109 -4.175 0.469 -0.747 1.00 0.00 C ATOM 0 HA PRO A 109 -4.447 1.672 -3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.775 3.154 -2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.504 3.114 -1.832 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.328 1.535 -0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.720 2.326 0.237 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -3.687 -0.357 -0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.172 0.569 -0.319 1.00 0.00 H new ATOM 1578 N LYS A 110 -2.327 1.550 -4.911 1.00 0.00 N ATOM 1579 CA LYS A 110 -1.103 1.365 -5.681 1.00 0.00 C ATOM 1580 C LYS A 110 0.048 2.160 -5.073 1.00 0.00 C ATOM 1581 O LYS A 110 1.193 1.709 -5.069 1.00 0.00 O ATOM 1582 CB LYS A 110 -1.321 1.794 -7.134 1.00 0.00 C ATOM 1583 CG LYS A 110 -2.695 1.436 -7.674 1.00 0.00 C ATOM 1584 CD LYS A 110 -2.670 1.251 -9.182 1.00 0.00 C ATOM 1585 CE LYS A 110 -2.212 2.517 -9.892 1.00 0.00 C ATOM 1586 NZ LYS A 110 -0.729 2.580 -10.009 1.00 0.00 N ATOM 0 H LYS A 110 -3.082 2.006 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.844 0.307 -5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.179 2.872 -7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.561 1.327 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.046 0.519 -7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.405 2.221 -7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.003 0.428 -9.438 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.665 0.976 -9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.657 2.557 -10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.571 3.390 -9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.471 3.003 -10.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.344 3.162 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.335 1.620 -9.948 1.00 0.00 H new ATOM 1600 N SER A 111 -0.264 3.345 -4.558 1.00 0.00 N ATOM 1601 CA SER A 111 0.745 4.204 -3.949 1.00 0.00 C ATOM 1602 C SER A 111 1.423 3.499 -2.778 1.00 0.00 C ATOM 1603 O SER A 111 2.434 3.970 -2.256 1.00 0.00 O ATOM 1604 CB SER A 111 0.112 5.513 -3.473 1.00 0.00 C ATOM 1605 OG SER A 111 0.126 6.489 -4.500 1.00 0.00 O ATOM 0 H SER A 111 -1.208 3.732 -4.550 1.00 0.00 H new ATOM 0 HA SER A 111 1.500 4.427 -4.703 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.914 5.330 -3.155 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.653 5.887 -2.604 1.00 0.00 H new ATOM 0 HG SER A 111 -0.285 7.316 -4.171 1.00 0.00 H new ATOM 1611 N PHE A 112 0.860 2.366 -2.372 1.00 0.00 N ATOM 1612 CA PHE A 112 1.409 1.595 -1.262 1.00 0.00 C ATOM 1613 C PHE A 112 2.197 0.392 -1.773 1.00 0.00 C ATOM 1614 O PHE A 112 3.057 -0.143 -1.072 1.00 0.00 O ATOM 1615 CB PHE A 112 0.286 1.127 -0.334 1.00 0.00 C ATOM 1616 CG PHE A 112 -0.245 2.211 0.559 1.00 0.00 C ATOM 1617 CD1 PHE A 112 -0.677 3.415 0.027 1.00 0.00 C ATOM 1618 CD2 PHE A 112 -0.314 2.026 1.930 1.00 0.00 C ATOM 1619 CE1 PHE A 112 -1.166 4.415 0.846 1.00 0.00 C ATOM 1620 CE2 PHE A 112 -0.802 3.022 2.755 1.00 0.00 C ATOM 1621 CZ PHE A 112 -1.229 4.218 2.212 1.00 0.00 C ATOM 0 H PHE A 112 0.024 1.961 -2.794 1.00 0.00 H new ATOM 0 HA PHE A 112 2.087 2.241 -0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.531 0.731 -0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.653 0.307 0.283 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.631 3.574 -1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.018 1.092 2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.499 5.349 0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.849 2.865 3.823 1.00 0.00 H new ATOM 0 HZ PHE A 112 -1.611 4.998 2.854 1.00 0.00 H new ATOM 1631 N ILE A 113 1.897 -0.028 -2.997 1.00 0.00 N ATOM 1632 CA ILE A 113 2.577 -1.166 -3.602 1.00 0.00 C ATOM 1633 C ILE A 113 3.744 -0.711 -4.471 1.00 0.00 C ATOM 1634 O ILE A 113 3.603 0.194 -5.294 1.00 0.00 O ATOM 1635 CB ILE A 113 1.612 -2.009 -4.457 1.00 0.00 C ATOM 1636 CG1 ILE A 113 0.452 -2.520 -3.601 1.00 0.00 C ATOM 1637 CG2 ILE A 113 2.354 -3.170 -5.102 1.00 0.00 C ATOM 1638 CD1 ILE A 113 0.896 -3.280 -2.372 1.00 0.00 C ATOM 0 H ILE A 113 1.187 0.403 -3.589 1.00 0.00 H new ATOM 0 HA ILE A 113 2.955 -1.779 -2.784 1.00 0.00 H new ATOM 0 HB ILE A 113 1.205 -1.379 -5.248 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.161 -1.673 -3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.180 -3.167 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.659 -3.757 -5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.149 -2.784 -5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.786 -3.802 -4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.021 -3.612 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.484 -4.147 -2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.503 -2.630 -1.742 1.00 0.00 H new ATOM 1650 N HIS A 114 4.897 -1.346 -4.284 1.00 0.00 N ATOM 1651 CA HIS A 114 6.089 -1.008 -5.054 1.00 0.00 C ATOM 1652 C HIS A 114 6.357 -2.056 -6.129 1.00 0.00 C ATOM 1653 O HIS A 114 6.876 -3.136 -5.842 1.00 0.00 O ATOM 1654 CB HIS A 114 7.301 -0.887 -4.129 1.00 0.00 C ATOM 1655 CG HIS A 114 8.528 -0.369 -4.815 1.00 0.00 C ATOM 1656 ND1 HIS A 114 8.579 0.859 -5.440 1.00 0.00 N ATOM 1657 CD2 HIS A 114 9.755 -0.919 -4.969 1.00 0.00 C ATOM 1658 CE1 HIS A 114 9.783 1.041 -5.951 1.00 0.00 C ATOM 1659 NE2 HIS A 114 10.517 -0.023 -5.679 1.00 0.00 N ATOM 0 H HIS A 114 5.031 -2.097 -3.607 1.00 0.00 H new ATOM 0 HA HIS A 114 5.917 -0.049 -5.542 1.00 0.00 H new ATOM 0 HB2 HIS A 114 7.051 -0.224 -3.300 1.00 0.00 H new ATOM 0 HB3 HIS A 114 7.520 -1.865 -3.700 1.00 0.00 H new ATOM 0 HD2 HIS A 114 10.075 -1.883 -4.602 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.112 1.912 -6.498 1.00 0.00 H new ATOM 0 HE2 HIS A 114 11.491 -0.157 -5.952 1.00 0.00 H new ATOM 1668 N ILE A 115 6.000 -1.732 -7.367 1.00 0.00 N ATOM 1669 CA ILE A 115 6.202 -2.645 -8.485 1.00 0.00 C ATOM 1670 C ILE A 115 7.686 -2.812 -8.796 1.00 0.00 C ATOM 1671 O ILE A 115 8.321 -1.913 -9.348 1.00 0.00 O ATOM 1672 CB ILE A 115 5.475 -2.156 -9.751 1.00 0.00 C ATOM 1673 CG1 ILE A 115 3.992 -1.925 -9.456 1.00 0.00 C ATOM 1674 CG2 ILE A 115 5.646 -3.160 -10.881 1.00 0.00 C ATOM 1675 CD1 ILE A 115 3.287 -3.146 -8.908 1.00 0.00 C ATOM 0 H ILE A 115 5.569 -0.843 -7.621 1.00 0.00 H new ATOM 0 HA ILE A 115 5.785 -3.607 -8.186 1.00 0.00 H new ATOM 0 HB ILE A 115 5.916 -1.209 -10.063 1.00 0.00 H new ATOM 0 HG12 ILE A 115 3.895 -1.108 -8.741 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.493 -1.608 -10.372 1.00 0.00 H new ATOM 0 HG21 ILE A 115 5.126 -2.800 -11.769 1.00 0.00 H new ATOM 0 HG22 ILE A 115 6.706 -3.279 -11.104 1.00 0.00 H new ATOM 0 HG23 ILE A 115 5.228 -4.121 -10.580 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.239 -2.909 -8.722 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.352 -3.959 -9.631 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.761 -3.452 -7.975 1.00 0.00 H new ATOM 1687 N LYS A 116 8.233 -3.970 -8.442 1.00 0.00 N ATOM 1688 CA LYS A 116 9.641 -4.259 -8.686 1.00 0.00 C ATOM 1689 C LYS A 116 9.829 -4.947 -10.034 1.00 0.00 C ATOM 1690 O LYS A 116 9.751 -6.171 -10.132 1.00 0.00 O ATOM 1691 CB LYS A 116 10.203 -5.140 -7.568 1.00 0.00 C ATOM 1692 CG LYS A 116 10.140 -4.494 -6.195 1.00 0.00 C ATOM 1693 CD LYS A 116 10.526 -5.474 -5.100 1.00 0.00 C ATOM 1694 CE LYS A 116 12.011 -5.803 -5.144 1.00 0.00 C ATOM 1695 NZ LYS A 116 12.302 -6.929 -6.073 1.00 0.00 N ATOM 0 H LYS A 116 7.722 -4.725 -7.984 1.00 0.00 H new ATOM 0 HA LYS A 116 10.183 -3.314 -8.702 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.650 -6.079 -7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 116 11.240 -5.386 -7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.808 -3.633 -6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.132 -4.122 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.275 -5.052 -4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.946 -6.390 -5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.569 -4.921 -5.457 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.356 -6.060 -4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.759 -7.702 -5.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 11.414 -7.272 -6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.937 -6.601 -6.828 1.00 0.00 H new