USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 313 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 NoAdj-H: A 938 HIS HE2 : A 938 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 909 SER OG : rot 180:sc= 0 USER MOD Single : A 910 SER OG : rot 180:sc= 0 USER MOD Single : A 912 SER OG : rot 180:sc= 0 USER MOD Single : A 913 SER OG : rot 180:sc= 0 USER MOD Single : A 915 THR OG1 : rot 180:sc= 0 USER MOD Single : A 918 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 920 CYS SG : rot -160:sc= 0 USER MOD Single : A 921 LYS NZ :NH3+ -165:sc=-0.00809 (180deg=-0.21) USER MOD Single : A 923 THR OG1 : rot 180:sc= 0 USER MOD Single : A 927 LYS NZ :NH3+ -161:sc= -0.0546 (180deg=-0.422) USER MOD Single : A 930 CYS SG : rot 61:sc= 1.01 USER MOD Single : A 932 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 933 SER OG : rot 180:sc= 0 USER MOD Single : A 934 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 937 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 939 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 941 THR OG1 : rot -28:sc= 0.729 USER MOD Single : A 942 HIS : no HE2:sc= -0.334 K(o=-0.33,f=-2.6!) USER MOD Single : A 946 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 947 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 948 SER OG : rot -60:sc= 0.451 USER MOD Single : A 951 SER OG : rot 24:sc= 0.458 USER MOD Single : A 952 SER OG : rot -56:sc= 0.046 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 908 4.025 8.159 13.980 1.00 0.00 N ATOM 2 CA GLY A 908 5.298 8.638 13.473 1.00 0.00 C ATOM 3 C GLY A 908 5.500 8.307 12.008 1.00 0.00 C ATOM 4 O GLY A 908 5.816 7.169 11.660 1.00 0.00 O ATOM 0 HA2 GLY A 908 5.357 9.718 13.610 1.00 0.00 H new ATOM 0 HA3 GLY A 908 6.107 8.198 14.057 1.00 0.00 H new ATOM 8 N SER A 909 5.317 9.303 11.147 1.00 0.00 N ATOM 9 CA SER A 909 5.476 9.110 9.710 1.00 0.00 C ATOM 10 C SER A 909 6.732 9.812 9.204 1.00 0.00 C ATOM 11 O SER A 909 6.803 10.222 8.045 1.00 0.00 O ATOM 12 CB SER A 909 4.248 9.637 8.965 1.00 0.00 C ATOM 13 OG SER A 909 4.162 11.048 9.057 1.00 0.00 O ATOM 0 H SER A 909 5.059 10.251 11.419 1.00 0.00 H new ATOM 0 HA SER A 909 5.577 8.041 9.520 1.00 0.00 H new ATOM 0 HB2 SER A 909 4.299 9.340 7.917 1.00 0.00 H new ATOM 0 HB3 SER A 909 3.346 9.187 9.380 1.00 0.00 H new ATOM 0 HG SER A 909 3.370 11.360 8.571 1.00 0.00 H new ATOM 19 N SER A 910 7.721 9.947 10.082 1.00 0.00 N ATOM 20 CA SER A 910 8.975 10.603 9.726 1.00 0.00 C ATOM 21 C SER A 910 10.091 9.579 9.544 1.00 0.00 C ATOM 22 O SER A 910 9.986 8.442 10.002 1.00 0.00 O ATOM 23 CB SER A 910 9.367 11.616 10.802 1.00 0.00 C ATOM 24 OG SER A 910 8.286 12.479 11.109 1.00 0.00 O ATOM 0 H SER A 910 7.679 9.611 11.044 1.00 0.00 H new ATOM 0 HA SER A 910 8.828 11.126 8.781 1.00 0.00 H new ATOM 0 HB2 SER A 910 9.683 11.090 11.703 1.00 0.00 H new ATOM 0 HB3 SER A 910 10.219 12.203 10.460 1.00 0.00 H new ATOM 0 HG SER A 910 8.562 13.116 11.801 1.00 0.00 H new ATOM 30 N GLY A 911 11.161 9.992 8.871 1.00 0.00 N ATOM 31 CA GLY A 911 12.282 9.100 8.640 1.00 0.00 C ATOM 32 C GLY A 911 12.886 9.274 7.260 1.00 0.00 C ATOM 33 O GLY A 911 14.051 9.646 7.128 1.00 0.00 O ATOM 0 H GLY A 911 11.271 10.928 8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 911 13.048 9.281 9.394 1.00 0.00 H new ATOM 0 HA3 GLY A 911 11.953 8.068 8.762 1.00 0.00 H new ATOM 37 N SER A 912 12.091 9.001 6.230 1.00 0.00 N ATOM 38 CA SER A 912 12.556 9.124 4.853 1.00 0.00 C ATOM 39 C SER A 912 12.329 10.538 4.327 1.00 0.00 C ATOM 40 O SER A 912 11.411 11.234 4.761 1.00 0.00 O ATOM 41 CB SER A 912 11.837 8.113 3.958 1.00 0.00 C ATOM 42 OG SER A 912 12.208 8.280 2.600 1.00 0.00 O ATOM 0 H SER A 912 11.123 8.694 6.323 1.00 0.00 H new ATOM 0 HA SER A 912 13.626 8.917 4.837 1.00 0.00 H new ATOM 0 HB2 SER A 912 12.077 7.100 4.282 1.00 0.00 H new ATOM 0 HB3 SER A 912 10.759 8.233 4.061 1.00 0.00 H new ATOM 0 HG SER A 912 11.736 7.621 2.049 1.00 0.00 H new ATOM 48 N SER A 913 13.173 10.957 3.390 1.00 0.00 N ATOM 49 CA SER A 913 13.068 12.289 2.806 1.00 0.00 C ATOM 50 C SER A 913 12.733 12.207 1.320 1.00 0.00 C ATOM 51 O SER A 913 11.812 12.868 0.842 1.00 0.00 O ATOM 52 CB SER A 913 14.374 13.061 3.004 1.00 0.00 C ATOM 53 OG SER A 913 14.189 14.446 2.772 1.00 0.00 O ATOM 0 H SER A 913 13.938 10.393 3.019 1.00 0.00 H new ATOM 0 HA SER A 913 12.261 12.818 3.314 1.00 0.00 H new ATOM 0 HB2 SER A 913 14.742 12.905 4.018 1.00 0.00 H new ATOM 0 HB3 SER A 913 15.135 12.674 2.326 1.00 0.00 H new ATOM 0 HG SER A 913 15.038 14.917 2.907 1.00 0.00 H new ATOM 59 N GLY A 914 13.489 11.389 0.594 1.00 0.00 N ATOM 60 CA GLY A 914 13.258 11.234 -0.830 1.00 0.00 C ATOM 61 C GLY A 914 14.508 10.814 -1.578 1.00 0.00 C ATOM 62 O GLY A 914 14.826 11.366 -2.632 1.00 0.00 O ATOM 0 H GLY A 914 14.257 10.831 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 914 12.476 10.491 -0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 914 12.892 12.175 -1.240 1.00 0.00 H new ATOM 66 N THR A 915 15.222 9.834 -1.031 1.00 0.00 N ATOM 67 CA THR A 915 16.446 9.342 -1.651 1.00 0.00 C ATOM 68 C THR A 915 16.648 7.858 -1.368 1.00 0.00 C ATOM 69 O THR A 915 16.614 7.426 -0.216 1.00 0.00 O ATOM 70 CB THR A 915 17.679 10.121 -1.156 1.00 0.00 C ATOM 71 OG1 THR A 915 17.536 10.431 0.235 1.00 0.00 O ATOM 72 CG2 THR A 915 17.864 11.405 -1.950 1.00 0.00 C ATOM 0 H THR A 915 14.973 9.366 -0.160 1.00 0.00 H new ATOM 0 HA THR A 915 16.338 9.492 -2.725 1.00 0.00 H new ATOM 0 HB THR A 915 18.559 9.494 -1.300 1.00 0.00 H new ATOM 0 HG1 THR A 915 18.325 10.925 0.543 1.00 0.00 H new ATOM 0 HG21 THR A 915 18.741 11.937 -1.582 1.00 0.00 H new ATOM 0 HG22 THR A 915 18.002 11.164 -3.004 1.00 0.00 H new ATOM 0 HG23 THR A 915 16.982 12.035 -1.834 1.00 0.00 H new ATOM 80 N GLY A 916 16.860 7.081 -2.426 1.00 0.00 N ATOM 81 CA GLY A 916 17.065 5.653 -2.268 1.00 0.00 C ATOM 82 C GLY A 916 16.187 4.836 -3.196 1.00 0.00 C ATOM 83 O GLY A 916 16.427 4.785 -4.401 1.00 0.00 O ATOM 0 H GLY A 916 16.893 7.415 -3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 916 18.111 5.416 -2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 916 16.858 5.371 -1.235 1.00 0.00 H new ATOM 87 N GLU A 917 15.169 4.194 -2.631 1.00 0.00 N ATOM 88 CA GLU A 917 14.255 3.373 -3.417 1.00 0.00 C ATOM 89 C GLU A 917 12.820 3.530 -2.921 1.00 0.00 C ATOM 90 O GLU A 917 12.583 4.001 -1.809 1.00 0.00 O ATOM 91 CB GLU A 917 14.671 1.902 -3.351 1.00 0.00 C ATOM 92 CG GLU A 917 14.845 1.381 -1.934 1.00 0.00 C ATOM 93 CD GLU A 917 13.521 1.139 -1.235 1.00 0.00 C ATOM 94 OE1 GLU A 917 12.632 0.512 -1.849 1.00 0.00 O ATOM 95 OE2 GLU A 917 13.373 1.577 -0.075 1.00 0.00 O ATOM 0 H GLU A 917 14.957 4.226 -1.634 1.00 0.00 H new ATOM 0 HA GLU A 917 14.302 3.710 -4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 917 13.921 1.298 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 917 15.607 1.773 -3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 917 15.413 0.451 -1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 917 15.431 2.097 -1.357 1.00 0.00 H new ATOM 102 N LYS A 918 11.866 3.132 -3.755 1.00 0.00 N ATOM 103 CA LYS A 918 10.454 3.227 -3.404 1.00 0.00 C ATOM 104 C LYS A 918 9.580 2.611 -4.493 1.00 0.00 C ATOM 105 O LYS A 918 8.860 3.305 -5.211 1.00 0.00 O ATOM 106 CB LYS A 918 10.059 4.689 -3.185 1.00 0.00 C ATOM 107 CG LYS A 918 10.498 5.613 -4.308 1.00 0.00 C ATOM 108 CD LYS A 918 9.761 6.940 -4.258 1.00 0.00 C ATOM 109 CE LYS A 918 10.537 8.036 -4.972 1.00 0.00 C ATOM 110 NZ LYS A 918 10.293 8.022 -6.441 1.00 0.00 N ATOM 0 H LYS A 918 12.045 2.740 -4.680 1.00 0.00 H new ATOM 0 HA LYS A 918 10.297 2.672 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 918 8.976 4.752 -3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 918 10.494 5.038 -2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 918 11.571 5.789 -4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 918 10.317 5.131 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 918 8.779 6.829 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 918 9.596 7.227 -3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 918 10.252 9.006 -4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 918 11.603 7.911 -4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 918 10.840 8.784 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 918 10.589 7.105 -6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 918 9.280 8.167 -6.626 1.00 0.00 H new ATOM 124 N PRO A 919 9.642 1.277 -4.618 1.00 0.00 N ATOM 125 CA PRO A 919 8.861 0.538 -5.615 1.00 0.00 C ATOM 126 C PRO A 919 7.370 0.537 -5.298 1.00 0.00 C ATOM 127 O PRO A 919 6.535 0.673 -6.194 1.00 0.00 O ATOM 128 CB PRO A 919 9.427 -0.881 -5.528 1.00 0.00 C ATOM 129 CG PRO A 919 9.977 -0.986 -4.147 1.00 0.00 C ATOM 130 CD PRO A 919 10.479 0.387 -3.796 1.00 0.00 C ATOM 0 HA PRO A 919 8.940 0.983 -6.607 1.00 0.00 H new ATOM 0 HB2 PRO A 919 8.652 -1.628 -5.703 1.00 0.00 H new ATOM 0 HB3 PRO A 919 10.202 -1.044 -6.276 1.00 0.00 H new ATOM 0 HG2 PRO A 919 9.210 -1.312 -3.445 1.00 0.00 H new ATOM 0 HG3 PRO A 919 10.782 -1.719 -4.102 1.00 0.00 H new ATOM 0 HD2 PRO A 919 10.365 0.597 -2.733 1.00 0.00 H new ATOM 0 HD3 PRO A 919 11.537 0.500 -4.031 1.00 0.00 H new ATOM 138 N CYS A 920 7.041 0.385 -4.020 1.00 0.00 N ATOM 139 CA CYS A 920 5.649 0.366 -3.586 1.00 0.00 C ATOM 140 C CYS A 920 5.400 1.422 -2.514 1.00 0.00 C ATOM 141 O CYS A 920 6.121 1.496 -1.519 1.00 0.00 O ATOM 142 CB CYS A 920 5.278 -1.018 -3.051 1.00 0.00 C ATOM 143 SG CYS A 920 5.462 -2.350 -4.260 1.00 0.00 S ATOM 0 H CYS A 920 7.719 0.273 -3.266 1.00 0.00 H new ATOM 0 HA CYS A 920 5.022 0.594 -4.448 1.00 0.00 H new ATOM 0 HB2 CYS A 920 5.901 -1.240 -2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 920 4.245 -0.997 -2.704 1.00 0.00 H new ATOM 0 HG CYS A 920 4.754 -3.375 -3.888 1.00 0.00 H new ATOM 149 N LYS A 921 4.374 2.240 -2.724 1.00 0.00 N ATOM 150 CA LYS A 921 4.029 3.294 -1.777 1.00 0.00 C ATOM 151 C LYS A 921 2.519 3.505 -1.725 1.00 0.00 C ATOM 152 O LYS A 921 1.898 3.867 -2.725 1.00 0.00 O ATOM 153 CB LYS A 921 4.724 4.602 -2.161 1.00 0.00 C ATOM 154 CG LYS A 921 4.634 5.675 -1.091 1.00 0.00 C ATOM 155 CD LYS A 921 4.908 7.057 -1.662 1.00 0.00 C ATOM 156 CE LYS A 921 6.372 7.225 -2.038 1.00 0.00 C ATOM 157 NZ LYS A 921 7.254 7.241 -0.839 1.00 0.00 N ATOM 0 H LYS A 921 3.767 2.193 -3.542 1.00 0.00 H new ATOM 0 HA LYS A 921 4.370 2.986 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 921 5.774 4.398 -2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 921 4.282 4.982 -3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 921 3.642 5.657 -0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 921 5.350 5.460 -0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 921 4.285 7.218 -2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 921 4.630 7.816 -0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 921 6.673 6.412 -2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 921 6.500 8.153 -2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 921 8.192 7.605 -1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 921 6.837 7.854 -0.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 921 7.350 6.275 -0.466 1.00 0.00 H new ATOM 171 N CYS A 922 1.934 3.278 -0.554 1.00 0.00 N ATOM 172 CA CYS A 922 0.497 3.444 -0.371 1.00 0.00 C ATOM 173 C CYS A 922 0.108 4.918 -0.432 1.00 0.00 C ATOM 174 O CYS A 922 0.558 5.725 0.382 1.00 0.00 O ATOM 175 CB CYS A 922 0.060 2.844 0.967 1.00 0.00 C ATOM 176 SG CYS A 922 -1.739 2.595 1.118 1.00 0.00 S ATOM 0 H CYS A 922 2.433 2.978 0.283 1.00 0.00 H new ATOM 0 HA CYS A 922 -0.011 2.919 -1.180 1.00 0.00 H new ATOM 0 HB2 CYS A 922 0.561 1.886 1.105 1.00 0.00 H new ATOM 0 HB3 CYS A 922 0.395 3.497 1.773 1.00 0.00 H new ATOM 181 N THR A 923 -0.732 5.263 -1.403 1.00 0.00 N ATOM 182 CA THR A 923 -1.181 6.639 -1.572 1.00 0.00 C ATOM 183 C THR A 923 -2.462 6.899 -0.787 1.00 0.00 C ATOM 184 O THR A 923 -2.753 8.036 -0.416 1.00 0.00 O ATOM 185 CB THR A 923 -1.425 6.972 -3.056 1.00 0.00 C ATOM 186 OG1 THR A 923 -2.586 6.281 -3.529 1.00 0.00 O ATOM 187 CG2 THR A 923 -0.220 6.589 -3.902 1.00 0.00 C ATOM 0 H THR A 923 -1.115 4.608 -2.084 1.00 0.00 H new ATOM 0 HA THR A 923 -0.387 7.280 -1.189 1.00 0.00 H new ATOM 0 HB THR A 923 -1.583 8.047 -3.143 1.00 0.00 H new ATOM 0 HG1 THR A 923 -2.735 6.500 -4.473 1.00 0.00 H new ATOM 0 HG21 THR A 923 -0.416 6.834 -4.946 1.00 0.00 H new ATOM 0 HG22 THR A 923 0.656 7.140 -3.558 1.00 0.00 H new ATOM 0 HG23 THR A 923 -0.035 5.519 -3.809 1.00 0.00 H new ATOM 195 N GLU A 924 -3.224 5.838 -0.538 1.00 0.00 N ATOM 196 CA GLU A 924 -4.474 5.954 0.203 1.00 0.00 C ATOM 197 C GLU A 924 -4.259 6.690 1.522 1.00 0.00 C ATOM 198 O GLU A 924 -5.070 7.527 1.920 1.00 0.00 O ATOM 199 CB GLU A 924 -5.065 4.568 0.470 1.00 0.00 C ATOM 200 CG GLU A 924 -5.797 3.978 -0.723 1.00 0.00 C ATOM 201 CD GLU A 924 -7.173 4.583 -0.921 1.00 0.00 C ATOM 202 OE1 GLU A 924 -7.753 5.075 0.069 1.00 0.00 O ATOM 203 OE2 GLU A 924 -7.670 4.564 -2.067 1.00 0.00 O ATOM 0 H GLU A 924 -2.997 4.890 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 924 -5.174 6.529 -0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 924 -4.263 3.891 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 924 -5.754 4.632 1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 924 -5.202 4.135 -1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 924 -5.894 2.901 -0.589 1.00 0.00 H new ATOM 210 N CYS A 925 -3.160 6.372 2.198 1.00 0.00 N ATOM 211 CA CYS A 925 -2.836 7.000 3.473 1.00 0.00 C ATOM 212 C CYS A 925 -1.539 7.797 3.373 1.00 0.00 C ATOM 213 O CYS A 925 -1.339 8.771 4.097 1.00 0.00 O ATOM 214 CB CYS A 925 -2.714 5.942 4.571 1.00 0.00 C ATOM 215 SG CYS A 925 -1.596 4.565 4.155 1.00 0.00 S ATOM 0 H CYS A 925 -2.478 5.682 1.883 1.00 0.00 H new ATOM 0 HA CYS A 925 -3.644 7.686 3.727 1.00 0.00 H new ATOM 0 HB2 CYS A 925 -2.360 6.420 5.484 1.00 0.00 H new ATOM 0 HB3 CYS A 925 -3.704 5.540 4.785 1.00 0.00 H new ATOM 220 N GLY A 926 -0.660 7.375 2.469 1.00 0.00 N ATOM 221 CA GLY A 926 0.607 8.060 2.290 1.00 0.00 C ATOM 222 C GLY A 926 1.760 7.329 2.950 1.00 0.00 C ATOM 223 O GLY A 926 2.794 7.926 3.248 1.00 0.00 O ATOM 0 H GLY A 926 -0.803 6.571 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 926 0.811 8.167 1.225 1.00 0.00 H new ATOM 0 HA3 GLY A 926 0.534 9.066 2.704 1.00 0.00 H new ATOM 227 N LYS A 927 1.582 6.033 3.181 1.00 0.00 N ATOM 228 CA LYS A 927 2.614 5.218 3.810 1.00 0.00 C ATOM 229 C LYS A 927 3.586 4.672 2.769 1.00 0.00 C ATOM 230 O LYS A 927 3.200 4.381 1.638 1.00 0.00 O ATOM 231 CB LYS A 927 1.979 4.062 4.586 1.00 0.00 C ATOM 232 CG LYS A 927 2.902 3.444 5.621 1.00 0.00 C ATOM 233 CD LYS A 927 3.216 4.421 6.742 1.00 0.00 C ATOM 234 CE LYS A 927 4.018 3.758 7.851 1.00 0.00 C ATOM 235 NZ LYS A 927 3.293 2.599 8.443 1.00 0.00 N ATOM 0 H LYS A 927 0.731 5.524 2.942 1.00 0.00 H new ATOM 0 HA LYS A 927 3.169 5.851 4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 927 1.078 4.421 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 927 1.668 3.290 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 927 2.438 2.549 6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 927 3.829 3.129 5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 927 3.776 5.267 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 927 2.287 4.818 7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 927 4.977 3.423 7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 927 4.233 4.489 8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 927 3.696 2.377 9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 927 2.286 2.837 8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 927 3.390 1.773 7.818 1.00 0.00 H new ATOM 249 N ALA A 928 4.849 4.535 3.160 1.00 0.00 N ATOM 250 CA ALA A 928 5.875 4.021 2.261 1.00 0.00 C ATOM 251 C ALA A 928 6.237 2.581 2.608 1.00 0.00 C ATOM 252 O ALA A 928 6.579 2.274 3.750 1.00 0.00 O ATOM 253 CB ALA A 928 7.113 4.905 2.312 1.00 0.00 C ATOM 0 H ALA A 928 5.186 4.773 4.093 1.00 0.00 H new ATOM 0 HA ALA A 928 5.474 4.034 1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 928 7.871 4.509 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 928 6.849 5.918 2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 928 7.507 4.922 3.328 1.00 0.00 H new ATOM 259 N PHE A 929 6.158 1.700 1.616 1.00 0.00 N ATOM 260 CA PHE A 929 6.476 0.291 1.817 1.00 0.00 C ATOM 261 C PHE A 929 7.509 -0.184 0.799 1.00 0.00 C ATOM 262 O PHE A 929 7.158 -0.657 -0.283 1.00 0.00 O ATOM 263 CB PHE A 929 5.208 -0.559 1.709 1.00 0.00 C ATOM 264 CG PHE A 929 4.290 -0.419 2.890 1.00 0.00 C ATOM 265 CD1 PHE A 929 4.529 -1.127 4.057 1.00 0.00 C ATOM 266 CD2 PHE A 929 3.189 0.420 2.832 1.00 0.00 C ATOM 267 CE1 PHE A 929 3.685 -1.000 5.144 1.00 0.00 C ATOM 268 CE2 PHE A 929 2.342 0.551 3.917 1.00 0.00 C ATOM 269 CZ PHE A 929 2.591 -0.160 5.075 1.00 0.00 C ATOM 0 H PHE A 929 5.876 1.937 0.665 1.00 0.00 H new ATOM 0 HA PHE A 929 6.898 0.178 2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 929 4.668 -0.279 0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 929 5.490 -1.606 1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 929 5.383 -1.785 4.118 1.00 0.00 H new ATOM 0 HD2 PHE A 929 2.990 0.978 1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 929 3.881 -1.558 6.048 1.00 0.00 H new ATOM 0 HE2 PHE A 929 1.487 1.208 3.859 1.00 0.00 H new ATOM 0 HZ PHE A 929 1.932 -0.059 5.924 1.00 0.00 H new ATOM 279 N CYS A 930 8.782 -0.055 1.154 1.00 0.00 N ATOM 280 CA CYS A 930 9.867 -0.470 0.272 1.00 0.00 C ATOM 281 C CYS A 930 9.686 -1.919 -0.168 1.00 0.00 C ATOM 282 O CYS A 930 10.049 -2.288 -1.285 1.00 0.00 O ATOM 283 CB CYS A 930 11.216 -0.302 0.975 1.00 0.00 C ATOM 284 SG CYS A 930 11.334 -1.164 2.560 1.00 0.00 S ATOM 0 H CYS A 930 9.088 0.333 2.046 1.00 0.00 H new ATOM 0 HA CYS A 930 9.845 0.165 -0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 930 12.005 -0.665 0.316 1.00 0.00 H new ATOM 0 HB3 CYS A 930 11.400 0.760 1.137 1.00 0.00 H new ATOM 0 HG CYS A 930 11.173 -2.440 2.373 1.00 0.00 H new ATOM 290 N TRP A 931 9.125 -2.734 0.717 1.00 0.00 N ATOM 291 CA TRP A 931 8.898 -4.144 0.419 1.00 0.00 C ATOM 292 C TRP A 931 7.526 -4.353 -0.213 1.00 0.00 C ATOM 293 O TRP A 931 6.517 -3.859 0.291 1.00 0.00 O ATOM 294 CB TRP A 931 9.017 -4.981 1.694 1.00 0.00 C ATOM 295 CG TRP A 931 10.435 -5.199 2.130 1.00 0.00 C ATOM 296 CD1 TRP A 931 11.101 -4.528 3.116 1.00 0.00 C ATOM 297 CD2 TRP A 931 11.360 -6.151 1.594 1.00 0.00 C ATOM 298 NE1 TRP A 931 12.385 -5.006 3.225 1.00 0.00 N ATOM 299 CE2 TRP A 931 12.568 -6.003 2.303 1.00 0.00 C ATOM 300 CE3 TRP A 931 11.285 -7.115 0.586 1.00 0.00 C ATOM 301 CZ2 TRP A 931 13.690 -6.782 2.033 1.00 0.00 C ATOM 302 CZ3 TRP A 931 12.399 -7.888 0.319 1.00 0.00 C ATOM 303 CH2 TRP A 931 13.588 -7.719 1.041 1.00 0.00 C ATOM 0 H TRP A 931 8.819 -2.444 1.646 1.00 0.00 H new ATOM 0 HA TRP A 931 9.658 -4.466 -0.292 1.00 0.00 H new ATOM 0 HB2 TRP A 931 8.469 -4.488 2.497 1.00 0.00 H new ATOM 0 HB3 TRP A 931 8.541 -5.948 1.531 1.00 0.00 H new ATOM 0 HD1 TRP A 931 10.681 -3.738 3.721 1.00 0.00 H new ATOM 0 HE1 TRP A 931 13.088 -4.673 3.885 1.00 0.00 H new ATOM 0 HE3 TRP A 931 10.373 -7.254 0.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 931 14.608 -6.651 2.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 931 12.352 -8.635 -0.459 1.00 0.00 H new ATOM 0 HH2 TRP A 931 14.441 -8.340 0.810 1.00 0.00 H new ATOM 314 N LYS A 932 7.495 -5.087 -1.320 1.00 0.00 N ATOM 315 CA LYS A 932 6.247 -5.363 -2.022 1.00 0.00 C ATOM 316 C LYS A 932 5.363 -6.304 -1.210 1.00 0.00 C ATOM 317 O LYS A 932 4.136 -6.241 -1.289 1.00 0.00 O ATOM 318 CB LYS A 932 6.534 -5.973 -3.395 1.00 0.00 C ATOM 319 CG LYS A 932 7.312 -7.276 -3.332 1.00 0.00 C ATOM 320 CD LYS A 932 7.428 -7.924 -4.701 1.00 0.00 C ATOM 321 CE LYS A 932 7.746 -9.407 -4.591 1.00 0.00 C ATOM 322 NZ LYS A 932 9.179 -9.645 -4.265 1.00 0.00 N ATOM 0 H LYS A 932 8.321 -5.502 -1.751 1.00 0.00 H new ATOM 0 HA LYS A 932 5.717 -4.420 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 932 5.589 -6.148 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 932 7.094 -5.254 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 932 8.308 -7.087 -2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 932 6.818 -7.963 -2.644 1.00 0.00 H new ATOM 0 HD2 LYS A 932 6.495 -7.791 -5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 932 8.208 -7.425 -5.276 1.00 0.00 H new ATOM 0 HE2 LYS A 932 7.119 -9.857 -3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 932 7.501 -9.902 -5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 932 9.355 -10.668 -4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 932 9.777 -9.239 -5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 932 9.408 -9.195 -3.356 1.00 0.00 H new ATOM 336 N SER A 933 5.995 -7.175 -0.429 1.00 0.00 N ATOM 337 CA SER A 933 5.265 -8.132 0.395 1.00 0.00 C ATOM 338 C SER A 933 4.662 -7.446 1.617 1.00 0.00 C ATOM 339 O SER A 933 3.596 -7.833 2.095 1.00 0.00 O ATOM 340 CB SER A 933 6.191 -9.266 0.838 1.00 0.00 C ATOM 341 OG SER A 933 6.825 -8.956 2.067 1.00 0.00 O ATOM 0 H SER A 933 7.010 -7.238 -0.350 1.00 0.00 H new ATOM 0 HA SER A 933 4.455 -8.547 -0.204 1.00 0.00 H new ATOM 0 HB2 SER A 933 5.618 -10.187 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 933 6.945 -9.445 0.071 1.00 0.00 H new ATOM 0 HG SER A 933 7.410 -9.697 2.329 1.00 0.00 H new ATOM 347 N GLN A 934 5.352 -6.426 2.116 1.00 0.00 N ATOM 348 CA GLN A 934 4.885 -5.686 3.283 1.00 0.00 C ATOM 349 C GLN A 934 3.540 -5.023 3.005 1.00 0.00 C ATOM 350 O GLN A 934 2.731 -4.831 3.914 1.00 0.00 O ATOM 351 CB GLN A 934 5.914 -4.630 3.689 1.00 0.00 C ATOM 352 CG GLN A 934 6.964 -5.144 4.660 1.00 0.00 C ATOM 353 CD GLN A 934 7.660 -4.027 5.412 1.00 0.00 C ATOM 354 OE1 GLN A 934 8.310 -3.170 4.813 1.00 0.00 O ATOM 355 NE2 GLN A 934 7.528 -4.032 6.734 1.00 0.00 N ATOM 0 H GLN A 934 6.236 -6.093 1.731 1.00 0.00 H new ATOM 0 HA GLN A 934 4.758 -6.393 4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 934 6.411 -4.256 2.794 1.00 0.00 H new ATOM 0 HB3 GLN A 934 5.395 -3.785 4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 934 6.493 -5.819 5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 934 7.706 -5.726 4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 934 6.980 -4.762 7.189 1.00 0.00 H new ATOM 0 HE22 GLN A 934 7.975 -3.306 7.294 1.00 0.00 H new ATOM 364 N LEU A 935 3.307 -4.675 1.744 1.00 0.00 N ATOM 365 CA LEU A 935 2.060 -4.033 1.346 1.00 0.00 C ATOM 366 C LEU A 935 0.917 -5.042 1.302 1.00 0.00 C ATOM 367 O LEU A 935 -0.223 -4.719 1.639 1.00 0.00 O ATOM 368 CB LEU A 935 2.220 -3.368 -0.022 1.00 0.00 C ATOM 369 CG LEU A 935 1.066 -2.470 -0.471 1.00 0.00 C ATOM 370 CD1 LEU A 935 1.070 -1.165 0.311 1.00 0.00 C ATOM 371 CD2 LEU A 935 1.153 -2.198 -1.966 1.00 0.00 C ATOM 0 H LEU A 935 3.966 -4.827 0.980 1.00 0.00 H new ATOM 0 HA LEU A 935 1.820 -3.272 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 935 3.133 -2.773 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 935 2.358 -4.149 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 935 0.128 -2.988 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 935 0.242 -0.539 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 935 0.959 -1.378 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 935 2.011 -0.642 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 935 0.324 -1.558 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 935 2.097 -1.701 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 935 1.101 -3.141 -2.511 1.00 0.00 H new ATOM 383 N ILE A 936 1.230 -6.265 0.888 1.00 0.00 N ATOM 384 CA ILE A 936 0.230 -7.323 0.805 1.00 0.00 C ATOM 385 C ILE A 936 -0.519 -7.476 2.124 1.00 0.00 C ATOM 386 O ILE A 936 -1.692 -7.847 2.143 1.00 0.00 O ATOM 387 CB ILE A 936 0.869 -8.673 0.430 1.00 0.00 C ATOM 388 CG1 ILE A 936 1.632 -8.552 -0.891 1.00 0.00 C ATOM 389 CG2 ILE A 936 -0.197 -9.755 0.335 1.00 0.00 C ATOM 390 CD1 ILE A 936 2.353 -9.820 -1.290 1.00 0.00 C ATOM 0 H ILE A 936 2.168 -6.548 0.605 1.00 0.00 H new ATOM 0 HA ILE A 936 -0.472 -7.033 0.023 1.00 0.00 H new ATOM 0 HB ILE A 936 1.575 -8.953 1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 936 0.933 -8.277 -1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 936 2.357 -7.742 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 936 0.270 -10.703 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 936 -0.700 -9.855 1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 936 -0.925 -9.482 -0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 936 2.872 -9.661 -2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 936 3.076 -10.085 -0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 936 1.631 -10.629 -1.404 1.00 0.00 H new ATOM 402 N MET A 937 0.167 -7.186 3.225 1.00 0.00 N ATOM 403 CA MET A 937 -0.436 -7.289 4.549 1.00 0.00 C ATOM 404 C MET A 937 -1.053 -5.959 4.970 1.00 0.00 C ATOM 405 O MET A 937 -2.001 -5.925 5.756 1.00 0.00 O ATOM 406 CB MET A 937 0.611 -7.726 5.576 1.00 0.00 C ATOM 407 CG MET A 937 1.331 -9.011 5.200 1.00 0.00 C ATOM 408 SD MET A 937 2.009 -9.872 6.632 1.00 0.00 S ATOM 409 CE MET A 937 2.174 -11.533 5.982 1.00 0.00 C ATOM 0 H MET A 937 1.139 -6.878 3.227 1.00 0.00 H new ATOM 0 HA MET A 937 -1.226 -8.038 4.504 1.00 0.00 H new ATOM 0 HB2 MET A 937 1.345 -6.929 5.696 1.00 0.00 H new ATOM 0 HB3 MET A 937 0.126 -7.860 6.543 1.00 0.00 H new ATOM 0 HG2 MET A 937 0.639 -9.671 4.678 1.00 0.00 H new ATOM 0 HG3 MET A 937 2.138 -8.781 4.504 1.00 0.00 H new ATOM 0 HE1 MET A 937 2.583 -12.186 6.753 1.00 0.00 H new ATOM 0 HE2 MET A 937 1.196 -11.902 5.675 1.00 0.00 H new ATOM 0 HE3 MET A 937 2.844 -11.522 5.122 1.00 0.00 H new ATOM 419 N HIS A 938 -0.511 -4.866 4.443 1.00 0.00 N ATOM 420 CA HIS A 938 -1.010 -3.534 4.764 1.00 0.00 C ATOM 421 C HIS A 938 -2.442 -3.356 4.269 1.00 0.00 C ATOM 422 O HIS A 938 -3.320 -2.936 5.022 1.00 0.00 O ATOM 423 CB HIS A 938 -0.107 -2.466 4.146 1.00 0.00 C ATOM 424 CG HIS A 938 -0.650 -1.076 4.274 1.00 0.00 C ATOM 425 ND1 HIS A 938 -0.829 -0.446 5.488 1.00 0.00 N ATOM 426 CD2 HIS A 938 -1.053 -0.192 3.331 1.00 0.00 C ATOM 427 CE1 HIS A 938 -1.320 0.764 5.286 1.00 0.00 C ATOM 428 NE2 HIS A 938 -1.465 0.943 3.986 1.00 0.00 N ATOM 0 H HIS A 938 0.274 -4.877 3.792 1.00 0.00 H new ATOM 0 HA HIS A 938 -1.003 -3.422 5.848 1.00 0.00 H new ATOM 0 HB2 HIS A 938 0.872 -2.510 4.622 1.00 0.00 H new ATOM 0 HB3 HIS A 938 0.041 -2.694 3.090 1.00 0.00 H new ATOM 0 HD1 HIS A 938 -0.616 -0.851 6.399 1.00 0.00 H new ATOM 0 HD2 HIS A 938 -1.051 -0.350 2.263 1.00 0.00 H new ATOM 0 HE1 HIS A 938 -1.562 1.484 6.054 1.00 0.00 H new ATOM 436 N GLN A 939 -2.668 -3.678 3.000 1.00 0.00 N ATOM 437 CA GLN A 939 -3.994 -3.551 2.405 1.00 0.00 C ATOM 438 C GLN A 939 -5.016 -4.383 3.172 1.00 0.00 C ATOM 439 O GLN A 939 -6.209 -4.078 3.166 1.00 0.00 O ATOM 440 CB GLN A 939 -3.961 -3.986 0.939 1.00 0.00 C ATOM 441 CG GLN A 939 -2.999 -3.177 0.085 1.00 0.00 C ATOM 442 CD GLN A 939 -3.108 -3.508 -1.390 1.00 0.00 C ATOM 443 OE1 GLN A 939 -2.339 -4.313 -1.917 1.00 0.00 O ATOM 444 NE2 GLN A 939 -4.067 -2.886 -2.067 1.00 0.00 N ATOM 0 H GLN A 939 -1.952 -4.028 2.364 1.00 0.00 H new ATOM 0 HA GLN A 939 -4.291 -2.504 2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 939 -3.682 -5.038 0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 939 -4.964 -3.901 0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 939 -3.195 -2.115 0.230 1.00 0.00 H new ATOM 0 HG3 GLN A 939 -1.978 -3.361 0.420 1.00 0.00 H new ATOM 0 HE21 GLN A 939 -4.682 -2.226 -1.591 1.00 0.00 H new ATOM 0 HE22 GLN A 939 -4.188 -3.068 -3.063 1.00 0.00 H new ATOM 453 N ARG A 940 -4.541 -5.434 3.832 1.00 0.00 N ATOM 454 CA ARG A 940 -5.414 -6.311 4.603 1.00 0.00 C ATOM 455 C ARG A 940 -6.000 -5.575 5.805 1.00 0.00 C ATOM 456 O ARG A 940 -7.192 -5.684 6.093 1.00 0.00 O ATOM 457 CB ARG A 940 -4.645 -7.547 5.074 1.00 0.00 C ATOM 458 CG ARG A 940 -5.542 -8.669 5.571 1.00 0.00 C ATOM 459 CD ARG A 940 -6.072 -9.509 4.419 1.00 0.00 C ATOM 460 NE ARG A 940 -5.033 -10.352 3.833 1.00 0.00 N ATOM 461 CZ ARG A 940 -4.601 -11.479 4.387 1.00 0.00 C ATOM 462 NH1 ARG A 940 -5.116 -11.897 5.535 1.00 0.00 N ATOM 463 NH2 ARG A 940 -3.653 -12.191 3.792 1.00 0.00 N ATOM 0 H ARG A 940 -3.556 -5.699 3.848 1.00 0.00 H new ATOM 0 HA ARG A 940 -6.233 -6.626 3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -4.033 -7.919 4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -3.963 -7.257 5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -4.985 -9.304 6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -6.377 -8.248 6.130 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -6.890 -10.136 4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -6.483 -8.853 3.651 1.00 0.00 H new ATOM 0 HE ARG A 940 -4.616 -10.059 2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -5.846 -11.353 5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -4.782 -12.763 5.958 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -3.255 -11.873 2.908 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -3.322 -13.056 4.218 1.00 0.00 H new ATOM 477 N THR A 941 -5.153 -4.825 6.503 1.00 0.00 N ATOM 478 CA THR A 941 -5.586 -4.072 7.674 1.00 0.00 C ATOM 479 C THR A 941 -5.959 -2.642 7.301 1.00 0.00 C ATOM 480 O THR A 941 -6.379 -1.857 8.153 1.00 0.00 O ATOM 481 CB THR A 941 -4.491 -4.040 8.757 1.00 0.00 C ATOM 482 OG1 THR A 941 -4.989 -3.402 9.938 1.00 0.00 O ATOM 483 CG2 THR A 941 -3.258 -3.302 8.257 1.00 0.00 C ATOM 0 H THR A 941 -4.163 -4.723 6.278 1.00 0.00 H new ATOM 0 HA THR A 941 -6.464 -4.581 8.071 1.00 0.00 H new ATOM 0 HB THR A 941 -4.211 -5.067 8.990 1.00 0.00 H new ATOM 0 HG1 THR A 941 -5.691 -2.763 9.693 1.00 0.00 H new ATOM 0 HG21 THR A 941 -2.498 -3.292 9.038 1.00 0.00 H new ATOM 0 HG22 THR A 941 -2.865 -3.807 7.375 1.00 0.00 H new ATOM 0 HG23 THR A 941 -3.527 -2.278 7.999 1.00 0.00 H new ATOM 491 N HIS A 942 -5.804 -2.308 6.024 1.00 0.00 N ATOM 492 CA HIS A 942 -6.126 -0.971 5.539 1.00 0.00 C ATOM 493 C HIS A 942 -7.635 -0.746 5.529 1.00 0.00 C ATOM 494 O HIS A 942 -8.288 -0.893 4.496 1.00 0.00 O ATOM 495 CB HIS A 942 -5.559 -0.765 4.134 1.00 0.00 C ATOM 496 CG HIS A 942 -5.245 0.665 3.818 1.00 0.00 C ATOM 497 ND1 HIS A 942 -5.757 1.724 4.538 1.00 0.00 N ATOM 498 CD2 HIS A 942 -4.466 1.208 2.854 1.00 0.00 C ATOM 499 CE1 HIS A 942 -5.307 2.857 4.029 1.00 0.00 C ATOM 500 NE2 HIS A 942 -4.521 2.572 3.007 1.00 0.00 N ATOM 0 H HIS A 942 -5.457 -2.945 5.306 1.00 0.00 H new ATOM 0 HA HIS A 942 -5.672 -0.247 6.216 1.00 0.00 H new ATOM 0 HB2 HIS A 942 -4.652 -1.360 4.026 1.00 0.00 H new ATOM 0 HB3 HIS A 942 -6.275 -1.141 3.403 1.00 0.00 H new ATOM 0 HD1 HIS A 942 -6.385 1.645 5.338 1.00 0.00 H new ATOM 0 HD2 HIS A 942 -3.906 0.669 2.104 1.00 0.00 H new ATOM 0 HE1 HIS A 942 -5.542 3.848 4.388 1.00 0.00 H new ATOM 508 N VAL A 943 -8.183 -0.389 6.686 1.00 0.00 N ATOM 509 CA VAL A 943 -9.614 -0.143 6.811 1.00 0.00 C ATOM 510 C VAL A 943 -9.890 1.295 7.235 1.00 0.00 C ATOM 511 O VAL A 943 -9.208 1.838 8.104 1.00 0.00 O ATOM 512 CB VAL A 943 -10.262 -1.100 7.829 1.00 0.00 C ATOM 513 CG1 VAL A 943 -10.259 -2.526 7.299 1.00 0.00 C ATOM 514 CG2 VAL A 943 -9.543 -1.020 9.167 1.00 0.00 C ATOM 0 H VAL A 943 -7.657 -0.264 7.551 1.00 0.00 H new ATOM 0 HA VAL A 943 -10.052 -0.319 5.828 1.00 0.00 H new ATOM 0 HB VAL A 943 -11.298 -0.795 7.979 1.00 0.00 H new ATOM 0 HG11 VAL A 943 -10.721 -3.188 8.032 1.00 0.00 H new ATOM 0 HG12 VAL A 943 -10.822 -2.569 6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 943 -9.232 -2.845 7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 943 -10.014 -1.703 9.874 1.00 0.00 H new ATOM 0 HG22 VAL A 943 -8.497 -1.298 9.035 1.00 0.00 H new ATOM 0 HG23 VAL A 943 -9.602 -0.002 9.551 1.00 0.00 H new ATOM 524 N ASP A 944 -10.895 1.906 6.616 1.00 0.00 N ATOM 525 CA ASP A 944 -11.263 3.281 6.930 1.00 0.00 C ATOM 526 C ASP A 944 -12.606 3.333 7.652 1.00 0.00 C ATOM 527 O ASP A 944 -13.654 3.090 7.052 1.00 0.00 O ATOM 528 CB ASP A 944 -11.323 4.120 5.653 1.00 0.00 C ATOM 529 CG ASP A 944 -11.459 5.603 5.940 1.00 0.00 C ATOM 530 OD1 ASP A 944 -10.497 6.195 6.471 1.00 0.00 O ATOM 531 OD2 ASP A 944 -12.528 6.171 5.633 1.00 0.00 O ATOM 0 H ASP A 944 -11.469 1.470 5.894 1.00 0.00 H new ATOM 0 HA ASP A 944 -10.500 3.693 7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 944 -10.421 3.948 5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 944 -12.166 3.792 5.045 1.00 0.00 H new ATOM 536 N ASP A 945 -12.567 3.650 8.941 1.00 0.00 N ATOM 537 CA ASP A 945 -13.782 3.734 9.745 1.00 0.00 C ATOM 538 C ASP A 945 -14.409 5.120 9.638 1.00 0.00 C ATOM 539 O ASP A 945 -13.711 6.117 9.456 1.00 0.00 O ATOM 540 CB ASP A 945 -13.474 3.410 11.207 1.00 0.00 C ATOM 541 CG ASP A 945 -13.129 1.949 11.417 1.00 0.00 C ATOM 542 OD1 ASP A 945 -13.305 1.155 10.469 1.00 0.00 O ATOM 543 OD2 ASP A 945 -12.682 1.599 12.529 1.00 0.00 O ATOM 0 H ASP A 945 -11.708 3.853 9.452 1.00 0.00 H new ATOM 0 HA ASP A 945 -14.494 3.003 9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -12.643 4.029 11.546 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -14.336 3.669 11.823 1.00 0.00 H new ATOM 548 N LYS A 946 -15.732 5.175 9.752 1.00 0.00 N ATOM 549 CA LYS A 946 -16.455 6.439 9.669 1.00 0.00 C ATOM 550 C LYS A 946 -17.255 6.692 10.943 1.00 0.00 C ATOM 551 O LYS A 946 -17.318 7.820 11.435 1.00 0.00 O ATOM 552 CB LYS A 946 -17.391 6.436 8.459 1.00 0.00 C ATOM 553 CG LYS A 946 -17.864 7.820 8.052 1.00 0.00 C ATOM 554 CD LYS A 946 -18.524 7.805 6.684 1.00 0.00 C ATOM 555 CE LYS A 946 -19.934 7.236 6.751 1.00 0.00 C ATOM 556 NZ LYS A 946 -20.472 6.928 5.397 1.00 0.00 N ATOM 0 H LYS A 946 -16.325 4.359 9.902 1.00 0.00 H new ATOM 0 HA LYS A 946 -15.725 7.240 9.554 1.00 0.00 H new ATOM 0 HB2 LYS A 946 -16.879 5.974 7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 946 -18.259 5.816 8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 946 -18.569 8.197 8.793 1.00 0.00 H new ATOM 0 HG3 LYS A 946 -17.017 8.506 8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 946 -18.558 8.818 6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 946 -17.923 7.211 5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 946 -19.931 6.329 7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 946 -20.590 7.950 7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 946 -21.434 6.543 5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 946 -20.498 7.798 4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 946 -19.860 6.228 4.931 1.00 0.00 H new ATOM 570 N HIS A 947 -17.865 5.637 11.474 1.00 0.00 N ATOM 571 CA HIS A 947 -18.659 5.745 12.692 1.00 0.00 C ATOM 572 C HIS A 947 -17.917 5.140 13.880 1.00 0.00 C ATOM 573 O HIS A 947 -17.691 5.809 14.889 1.00 0.00 O ATOM 574 CB HIS A 947 -20.008 5.049 12.510 1.00 0.00 C ATOM 575 CG HIS A 947 -20.751 5.493 11.288 1.00 0.00 C ATOM 576 ND1 HIS A 947 -21.137 6.799 11.075 1.00 0.00 N ATOM 577 CD2 HIS A 947 -21.178 4.795 10.209 1.00 0.00 C ATOM 578 CE1 HIS A 947 -21.771 6.886 9.918 1.00 0.00 C ATOM 579 NE2 HIS A 947 -21.808 5.683 9.373 1.00 0.00 N ATOM 0 H HIS A 947 -17.824 4.697 11.079 1.00 0.00 H new ATOM 0 HA HIS A 947 -18.829 6.803 12.893 1.00 0.00 H new ATOM 0 HB2 HIS A 947 -19.848 3.972 12.456 1.00 0.00 H new ATOM 0 HB3 HIS A 947 -20.625 5.236 13.389 1.00 0.00 H new ATOM 0 HD2 HIS A 947 -21.047 3.737 10.038 1.00 0.00 H new ATOM 0 HE1 HIS A 947 -22.187 7.787 9.491 1.00 0.00 H new ATOM 0 HE2 HIS A 947 -22.235 5.452 8.476 1.00 0.00 H new ATOM 587 N SER A 948 -17.542 3.872 13.754 1.00 0.00 N ATOM 588 CA SER A 948 -16.830 3.175 14.818 1.00 0.00 C ATOM 589 C SER A 948 -15.322 3.356 14.672 1.00 0.00 C ATOM 590 O SER A 948 -14.562 2.389 14.713 1.00 0.00 O ATOM 591 CB SER A 948 -17.180 1.686 14.806 1.00 0.00 C ATOM 592 OG SER A 948 -16.579 1.012 15.898 1.00 0.00 O ATOM 0 H SER A 948 -17.720 3.305 12.925 1.00 0.00 H new ATOM 0 HA SER A 948 -17.140 3.605 15.770 1.00 0.00 H new ATOM 0 HB2 SER A 948 -18.262 1.563 14.850 1.00 0.00 H new ATOM 0 HB3 SER A 948 -16.846 1.238 13.870 1.00 0.00 H new ATOM 0 HG SER A 948 -15.605 1.103 15.843 1.00 0.00 H new ATOM 598 N GLY A 949 -14.895 4.604 14.500 1.00 0.00 N ATOM 599 CA GLY A 949 -13.481 4.890 14.349 1.00 0.00 C ATOM 600 C GLY A 949 -12.830 5.301 15.655 1.00 0.00 C ATOM 601 O GLY A 949 -13.502 5.572 16.650 1.00 0.00 O ATOM 0 H GLY A 949 -15.504 5.422 14.463 1.00 0.00 H new ATOM 0 HA2 GLY A 949 -12.975 4.008 13.956 1.00 0.00 H new ATOM 0 HA3 GLY A 949 -13.351 5.686 13.615 1.00 0.00 H new ATOM 605 N PRO A 950 -11.489 5.349 15.663 1.00 0.00 N ATOM 606 CA PRO A 950 -10.718 5.727 16.851 1.00 0.00 C ATOM 607 C PRO A 950 -10.871 7.205 17.195 1.00 0.00 C ATOM 608 O PRO A 950 -11.063 7.565 18.356 1.00 0.00 O ATOM 609 CB PRO A 950 -9.274 5.418 16.449 1.00 0.00 C ATOM 610 CG PRO A 950 -9.267 5.506 14.962 1.00 0.00 C ATOM 611 CD PRO A 950 -10.623 5.038 14.513 1.00 0.00 C ATOM 0 HA PRO A 950 -11.051 5.192 17.741 1.00 0.00 H new ATOM 0 HB2 PRO A 950 -8.579 6.132 16.891 1.00 0.00 H new ATOM 0 HB3 PRO A 950 -8.972 4.427 16.788 1.00 0.00 H new ATOM 0 HG2 PRO A 950 -9.078 6.528 14.632 1.00 0.00 H new ATOM 0 HG3 PRO A 950 -8.479 4.883 14.538 1.00 0.00 H new ATOM 0 HD2 PRO A 950 -10.949 5.557 13.612 1.00 0.00 H new ATOM 0 HD3 PRO A 950 -10.625 3.972 14.285 1.00 0.00 H new ATOM 619 N SER A 951 -10.785 8.056 16.178 1.00 0.00 N ATOM 620 CA SER A 951 -10.911 9.496 16.374 1.00 0.00 C ATOM 621 C SER A 951 -11.959 10.083 15.433 1.00 0.00 C ATOM 622 O SER A 951 -11.861 9.946 14.214 1.00 0.00 O ATOM 623 CB SER A 951 -9.563 10.183 16.145 1.00 0.00 C ATOM 624 OG SER A 951 -9.113 9.993 14.814 1.00 0.00 O ATOM 0 H SER A 951 -10.629 7.774 15.210 1.00 0.00 H new ATOM 0 HA SER A 951 -11.231 9.671 17.401 1.00 0.00 H new ATOM 0 HB2 SER A 951 -9.655 11.249 16.352 1.00 0.00 H new ATOM 0 HB3 SER A 951 -8.825 9.785 16.842 1.00 0.00 H new ATOM 0 HG SER A 951 -9.880 9.807 14.233 1.00 0.00 H new ATOM 630 N SER A 952 -12.963 10.736 16.010 1.00 0.00 N ATOM 631 CA SER A 952 -14.033 11.340 15.225 1.00 0.00 C ATOM 632 C SER A 952 -13.826 12.846 15.095 1.00 0.00 C ATOM 633 O SER A 952 -14.763 13.629 15.252 1.00 0.00 O ATOM 634 CB SER A 952 -15.391 11.054 15.869 1.00 0.00 C ATOM 635 OG SER A 952 -16.446 11.260 14.946 1.00 0.00 O ATOM 0 H SER A 952 -13.058 10.860 17.018 1.00 0.00 H new ATOM 0 HA SER A 952 -14.012 10.900 14.228 1.00 0.00 H new ATOM 0 HB2 SER A 952 -15.416 10.026 16.231 1.00 0.00 H new ATOM 0 HB3 SER A 952 -15.530 11.701 16.735 1.00 0.00 H new ATOM 0 HG SER A 952 -16.397 12.172 14.592 1.00 0.00 H new ATOM 641 N GLY A 953 -12.591 13.246 14.807 1.00 0.00 N ATOM 642 CA GLY A 953 -12.283 14.656 14.660 1.00 0.00 C ATOM 643 C GLY A 953 -11.937 15.028 13.232 1.00 0.00 C ATOM 644 O GLY A 953 -12.384 16.072 12.760 1.00 0.00 O ATOM 0 H GLY A 953 -11.798 12.618 14.673 1.00 0.00 H new ATOM 0 HA2 GLY A 953 -13.137 15.248 14.990 1.00 0.00 H new ATOM 0 HA3 GLY A 953 -11.448 14.912 15.312 1.00 0.00 H new TER 648 GLY A 953 HETATM 649 ZN ZN A 201 -2.458 2.691 3.397 1.00 0.00 ZN