USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=14 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 NoAdj-H: A 942 HIS HE2 : A 942 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 933 SER OG : rot 57:sc= 0.658 USER MOD Set 1.2: A 934 GLN : amide:sc= -0.0424 K(o=0.62,f=-8.2!) 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= -0.131 USER MOD Single : A 913 SER OG : rot 180:sc= 0 USER MOD Single : A 915 THR OG1 : rot 47:sc= 0.0719 USER MOD Single : A 918 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 920 CYS SG : rot 180:sc= 0 USER MOD Single : A 921 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 THR OG1 : rot 180:sc= 0 USER MOD Single : A 927 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 930 CYS SG : rot 52:sc= 0.789 USER MOD Single : A 932 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 937 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 939 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 941 THR OG1 : rot 180:sc= 0 USER MOD Single : A 946 LYS NZ :NH3+ -156:sc= -0.135 (180deg=-0.68) USER MOD Single : A 947 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 948 SER OG : rot 180:sc= 0 USER MOD Single : A 951 SER OG : rot 180:sc= 0 USER MOD Single : A 952 SER OG : rot 28:sc= 0.64 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 908 12.000 6.885 -15.211 1.00 0.00 N ATOM 2 CA GLY A 908 13.306 6.982 -15.837 1.00 0.00 C ATOM 3 C GLY A 908 13.273 7.780 -17.125 1.00 0.00 C ATOM 4 O GLY A 908 13.476 7.232 -18.208 1.00 0.00 O ATOM 0 HA2 GLY A 908 14.005 7.448 -15.142 1.00 0.00 H new ATOM 0 HA3 GLY A 908 13.682 5.980 -16.043 1.00 0.00 H new ATOM 8 N SER A 909 13.016 9.079 -17.008 1.00 0.00 N ATOM 9 CA SER A 909 12.951 9.954 -18.173 1.00 0.00 C ATOM 10 C SER A 909 14.187 10.845 -18.252 1.00 0.00 C ATOM 11 O SER A 909 14.926 10.814 -19.236 1.00 0.00 O ATOM 12 CB SER A 909 11.689 10.817 -18.120 1.00 0.00 C ATOM 13 OG SER A 909 11.780 11.909 -19.018 1.00 0.00 O ATOM 0 H SER A 909 12.849 9.549 -16.118 1.00 0.00 H new ATOM 0 HA SER A 909 12.917 9.328 -19.065 1.00 0.00 H new ATOM 0 HB2 SER A 909 10.819 10.210 -18.368 1.00 0.00 H new ATOM 0 HB3 SER A 909 11.540 11.188 -17.106 1.00 0.00 H new ATOM 0 HG SER A 909 10.961 12.444 -18.966 1.00 0.00 H new ATOM 19 N SER A 910 14.405 11.638 -17.208 1.00 0.00 N ATOM 20 CA SER A 910 15.548 12.542 -17.159 1.00 0.00 C ATOM 21 C SER A 910 16.574 12.065 -16.135 1.00 0.00 C ATOM 22 O SER A 910 17.774 12.284 -16.293 1.00 0.00 O ATOM 23 CB SER A 910 15.090 13.961 -16.817 1.00 0.00 C ATOM 24 OG SER A 910 16.193 14.786 -16.482 1.00 0.00 O ATOM 0 H SER A 910 13.805 11.673 -16.384 1.00 0.00 H new ATOM 0 HA SER A 910 16.018 12.548 -18.143 1.00 0.00 H new ATOM 0 HB2 SER A 910 14.556 14.389 -17.666 1.00 0.00 H new ATOM 0 HB3 SER A 910 14.389 13.929 -15.983 1.00 0.00 H new ATOM 0 HG SER A 910 15.874 15.688 -16.269 1.00 0.00 H new ATOM 30 N GLY A 911 16.090 11.412 -15.082 1.00 0.00 N ATOM 31 CA GLY A 911 16.977 10.915 -14.047 1.00 0.00 C ATOM 32 C GLY A 911 17.628 9.599 -14.423 1.00 0.00 C ATOM 33 O GLY A 911 18.252 9.487 -15.478 1.00 0.00 O ATOM 0 H GLY A 911 15.100 11.219 -14.928 1.00 0.00 H new ATOM 0 HA2 GLY A 911 17.751 11.656 -13.850 1.00 0.00 H new ATOM 0 HA3 GLY A 911 16.415 10.787 -13.122 1.00 0.00 H new ATOM 37 N SER A 912 17.483 8.600 -13.559 1.00 0.00 N ATOM 38 CA SER A 912 18.066 7.286 -13.804 1.00 0.00 C ATOM 39 C SER A 912 16.979 6.253 -14.088 1.00 0.00 C ATOM 40 O SER A 912 15.796 6.503 -13.861 1.00 0.00 O ATOM 41 CB SER A 912 18.903 6.844 -12.602 1.00 0.00 C ATOM 42 OG SER A 912 19.584 5.631 -12.872 1.00 0.00 O ATOM 0 H SER A 912 16.967 8.675 -12.683 1.00 0.00 H new ATOM 0 HA SER A 912 18.711 7.360 -14.680 1.00 0.00 H new ATOM 0 HB2 SER A 912 19.625 7.622 -12.352 1.00 0.00 H new ATOM 0 HB3 SER A 912 18.258 6.717 -11.733 1.00 0.00 H new ATOM 0 HG SER A 912 20.113 5.371 -12.089 1.00 0.00 H new ATOM 48 N SER A 913 17.391 5.093 -14.588 1.00 0.00 N ATOM 49 CA SER A 913 16.453 4.023 -14.908 1.00 0.00 C ATOM 50 C SER A 913 16.779 2.760 -14.116 1.00 0.00 C ATOM 51 O SER A 913 17.923 2.307 -14.092 1.00 0.00 O ATOM 52 CB SER A 913 16.485 3.720 -16.408 1.00 0.00 C ATOM 53 OG SER A 913 16.085 2.385 -16.667 1.00 0.00 O ATOM 0 H SER A 913 18.368 4.870 -14.780 1.00 0.00 H new ATOM 0 HA SER A 913 15.452 4.356 -14.633 1.00 0.00 H new ATOM 0 HB2 SER A 913 15.826 4.409 -16.936 1.00 0.00 H new ATOM 0 HB3 SER A 913 17.491 3.883 -16.794 1.00 0.00 H new ATOM 0 HG SER A 913 16.112 2.217 -17.632 1.00 0.00 H new ATOM 59 N GLY A 914 15.764 2.196 -13.469 1.00 0.00 N ATOM 60 CA GLY A 914 15.961 0.991 -12.685 1.00 0.00 C ATOM 61 C GLY A 914 14.983 0.883 -11.532 1.00 0.00 C ATOM 62 O GLY A 914 13.839 1.328 -11.634 1.00 0.00 O ATOM 0 H GLY A 914 14.808 2.552 -13.474 1.00 0.00 H new ATOM 0 HA2 GLY A 914 15.854 0.120 -13.331 1.00 0.00 H new ATOM 0 HA3 GLY A 914 16.979 0.977 -12.296 1.00 0.00 H new ATOM 66 N THR A 915 15.431 0.288 -10.431 1.00 0.00 N ATOM 67 CA THR A 915 14.587 0.119 -9.255 1.00 0.00 C ATOM 68 C THR A 915 15.122 0.921 -8.074 1.00 0.00 C ATOM 69 O THR A 915 16.241 0.698 -7.616 1.00 0.00 O ATOM 70 CB THR A 915 14.480 -1.363 -8.848 1.00 0.00 C ATOM 71 OG1 THR A 915 15.774 -1.974 -8.878 1.00 0.00 O ATOM 72 CG2 THR A 915 13.538 -2.112 -9.778 1.00 0.00 C ATOM 0 H THR A 915 16.375 -0.085 -10.329 1.00 0.00 H new ATOM 0 HA THR A 915 13.596 0.487 -9.522 1.00 0.00 H new ATOM 0 HB THR A 915 14.080 -1.411 -7.835 1.00 0.00 H new ATOM 0 HG1 THR A 915 16.419 -1.397 -8.418 1.00 0.00 H new ATOM 0 HG21 THR A 915 13.478 -3.156 -9.471 1.00 0.00 H new ATOM 0 HG22 THR A 915 12.546 -1.662 -9.730 1.00 0.00 H new ATOM 0 HG23 THR A 915 13.914 -2.055 -10.800 1.00 0.00 H new ATOM 80 N GLY A 916 14.313 1.857 -7.585 1.00 0.00 N ATOM 81 CA GLY A 916 14.723 2.678 -6.461 1.00 0.00 C ATOM 82 C GLY A 916 14.644 1.936 -5.141 1.00 0.00 C ATOM 83 O GLY A 916 14.791 0.715 -5.099 1.00 0.00 O ATOM 0 H GLY A 916 13.382 2.061 -7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 916 15.745 3.022 -6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 916 14.092 3.565 -6.414 1.00 0.00 H new ATOM 87 N GLU A 917 14.412 2.675 -4.061 1.00 0.00 N ATOM 88 CA GLU A 917 14.316 2.079 -2.734 1.00 0.00 C ATOM 89 C GLU A 917 12.863 2.006 -2.274 1.00 0.00 C ATOM 90 O GLU A 917 12.498 1.154 -1.464 1.00 0.00 O ATOM 91 CB GLU A 917 15.141 2.884 -1.728 1.00 0.00 C ATOM 92 CG GLU A 917 16.633 2.876 -2.019 1.00 0.00 C ATOM 93 CD GLU A 917 17.471 3.082 -0.773 1.00 0.00 C ATOM 94 OE1 GLU A 917 17.042 2.637 0.312 1.00 0.00 O ATOM 95 OE2 GLU A 917 18.558 3.688 -0.884 1.00 0.00 O ATOM 0 H GLU A 917 14.287 3.687 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 917 14.713 1.065 -2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 917 14.786 3.915 -1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 917 14.972 2.483 -0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 917 16.904 1.927 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 917 16.863 3.660 -2.741 1.00 0.00 H new ATOM 102 N LYS A 918 12.037 2.907 -2.796 1.00 0.00 N ATOM 103 CA LYS A 918 10.624 2.946 -2.442 1.00 0.00 C ATOM 104 C LYS A 918 9.747 2.802 -3.682 1.00 0.00 C ATOM 105 O LYS A 918 9.132 3.760 -4.151 1.00 0.00 O ATOM 106 CB LYS A 918 10.294 4.255 -1.720 1.00 0.00 C ATOM 107 CG LYS A 918 10.814 5.491 -2.435 1.00 0.00 C ATOM 108 CD LYS A 918 12.223 5.843 -1.985 1.00 0.00 C ATOM 109 CE LYS A 918 12.481 7.339 -2.085 1.00 0.00 C ATOM 110 NZ LYS A 918 13.592 7.770 -1.192 1.00 0.00 N ATOM 0 H LYS A 918 12.323 3.621 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 918 10.419 2.108 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 918 9.213 4.337 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 918 10.715 4.222 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 918 10.807 5.320 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 918 10.148 6.332 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 918 12.370 5.515 -0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 918 12.947 5.306 -2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 918 12.722 7.598 -3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 918 11.573 7.883 -1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 918 13.737 8.795 -1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 918 13.351 7.546 -0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 918 14.465 7.270 -1.457 1.00 0.00 H new ATOM 124 N PRO A 919 9.686 1.577 -4.225 1.00 0.00 N ATOM 125 CA PRO A 919 8.886 1.279 -5.416 1.00 0.00 C ATOM 126 C PRO A 919 7.388 1.337 -5.138 1.00 0.00 C ATOM 127 O PRO A 919 6.625 1.918 -5.910 1.00 0.00 O ATOM 128 CB PRO A 919 9.308 -0.147 -5.779 1.00 0.00 C ATOM 129 CG PRO A 919 9.778 -0.741 -4.496 1.00 0.00 C ATOM 130 CD PRO A 919 10.393 0.389 -3.718 1.00 0.00 C ATOM 0 HA PRO A 919 9.055 2.004 -6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 919 8.474 -0.713 -6.195 1.00 0.00 H new ATOM 0 HB3 PRO A 919 10.099 -0.147 -6.529 1.00 0.00 H new ATOM 0 HG2 PRO A 919 8.950 -1.188 -3.946 1.00 0.00 H new ATOM 0 HG3 PRO A 919 10.505 -1.533 -4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 919 10.249 0.263 -2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 919 11.467 0.457 -3.890 1.00 0.00 H new ATOM 138 N CYS A 920 6.973 0.732 -4.030 1.00 0.00 N ATOM 139 CA CYS A 920 5.565 0.714 -3.650 1.00 0.00 C ATOM 140 C CYS A 920 5.239 1.877 -2.719 1.00 0.00 C ATOM 141 O CYS A 920 6.030 2.226 -1.842 1.00 0.00 O ATOM 142 CB CYS A 920 5.214 -0.611 -2.973 1.00 0.00 C ATOM 143 SG CYS A 920 5.447 -2.063 -4.026 1.00 0.00 S ATOM 0 H CYS A 920 7.592 0.248 -3.379 1.00 0.00 H new ATOM 0 HA CYS A 920 4.968 0.819 -4.556 1.00 0.00 H new ATOM 0 HB2 CYS A 920 5.826 -0.723 -2.078 1.00 0.00 H new ATOM 0 HB3 CYS A 920 4.175 -0.576 -2.646 1.00 0.00 H new ATOM 0 HG CYS A 920 5.126 -3.135 -3.364 1.00 0.00 H new ATOM 149 N LYS A 921 4.069 2.476 -2.916 1.00 0.00 N ATOM 150 CA LYS A 921 3.637 3.601 -2.095 1.00 0.00 C ATOM 151 C LYS A 921 2.119 3.614 -1.945 1.00 0.00 C ATOM 152 O LYS A 921 1.391 3.822 -2.916 1.00 0.00 O ATOM 153 CB LYS A 921 4.111 4.920 -2.709 1.00 0.00 C ATOM 154 CG LYS A 921 4.107 6.083 -1.732 1.00 0.00 C ATOM 155 CD LYS A 921 2.775 6.815 -1.744 1.00 0.00 C ATOM 156 CE LYS A 921 2.760 7.928 -2.780 1.00 0.00 C ATOM 157 NZ LYS A 921 3.277 9.210 -2.226 1.00 0.00 N ATOM 0 H LYS A 921 3.403 2.201 -3.638 1.00 0.00 H new ATOM 0 HA LYS A 921 4.081 3.488 -1.106 1.00 0.00 H new ATOM 0 HB2 LYS A 921 5.120 4.787 -3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 921 3.472 5.167 -3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 921 4.313 5.716 -0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 921 4.907 6.777 -1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 921 1.972 6.109 -1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 921 2.579 7.233 -0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 921 3.364 7.633 -3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 921 1.742 8.073 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 921 3.250 9.943 -2.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 921 2.685 9.505 -1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 921 4.257 9.079 -1.904 1.00 0.00 H new ATOM 171 N CYS A 922 1.648 3.392 -0.723 1.00 0.00 N ATOM 172 CA CYS A 922 0.216 3.379 -0.446 1.00 0.00 C ATOM 173 C CYS A 922 -0.385 4.771 -0.623 1.00 0.00 C ATOM 174 O CYS A 922 0.268 5.781 -0.356 1.00 0.00 O ATOM 175 CB CYS A 922 -0.045 2.876 0.976 1.00 0.00 C ATOM 176 SG CYS A 922 -1.798 2.532 1.332 1.00 0.00 S ATOM 0 H CYS A 922 2.237 3.219 0.092 1.00 0.00 H new ATOM 0 HA CYS A 922 -0.260 2.704 -1.157 1.00 0.00 H new ATOM 0 HB2 CYS A 922 0.533 1.967 1.140 1.00 0.00 H new ATOM 0 HB3 CYS A 922 0.320 3.619 1.685 1.00 0.00 H new ATOM 181 N THR A 923 -1.634 4.817 -1.074 1.00 0.00 N ATOM 182 CA THR A 923 -2.323 6.083 -1.288 1.00 0.00 C ATOM 183 C THR A 923 -3.331 6.355 -0.177 1.00 0.00 C ATOM 184 O THR A 923 -3.668 7.506 0.099 1.00 0.00 O ATOM 185 CB THR A 923 -3.054 6.103 -2.644 1.00 0.00 C ATOM 186 OG1 THR A 923 -3.751 7.343 -2.806 1.00 0.00 O ATOM 187 CG2 THR A 923 -4.036 4.946 -2.747 1.00 0.00 C ATOM 0 H THR A 923 -2.189 3.991 -1.298 1.00 0.00 H new ATOM 0 HA THR A 923 -1.561 6.862 -1.283 1.00 0.00 H new ATOM 0 HB THR A 923 -2.311 5.998 -3.434 1.00 0.00 H new ATOM 0 HG1 THR A 923 -4.212 7.349 -3.671 1.00 0.00 H new ATOM 0 HG21 THR A 923 -4.540 4.981 -3.713 1.00 0.00 H new ATOM 0 HG22 THR A 923 -3.498 4.003 -2.653 1.00 0.00 H new ATOM 0 HG23 THR A 923 -4.775 5.024 -1.949 1.00 0.00 H new ATOM 195 N GLU A 924 -3.808 5.288 0.458 1.00 0.00 N ATOM 196 CA GLU A 924 -4.777 5.414 1.539 1.00 0.00 C ATOM 197 C GLU A 924 -4.187 6.190 2.712 1.00 0.00 C ATOM 198 O GLU A 924 -4.904 6.875 3.443 1.00 0.00 O ATOM 199 CB GLU A 924 -5.234 4.030 2.008 1.00 0.00 C ATOM 200 CG GLU A 924 -6.650 4.011 2.559 1.00 0.00 C ATOM 201 CD GLU A 924 -7.693 4.309 1.499 1.00 0.00 C ATOM 202 OE1 GLU A 924 -7.436 4.014 0.314 1.00 0.00 O ATOM 203 OE2 GLU A 924 -8.767 4.836 1.857 1.00 0.00 O ATOM 0 H GLU A 924 -3.539 4.328 0.242 1.00 0.00 H new ATOM 0 HA GLU A 924 -5.637 5.964 1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 924 -5.169 3.333 1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 924 -4.549 3.672 2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 924 -6.852 3.034 2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 924 -6.733 4.744 3.362 1.00 0.00 H new ATOM 210 N CYS A 925 -2.874 6.079 2.887 1.00 0.00 N ATOM 211 CA CYS A 925 -2.185 6.768 3.971 1.00 0.00 C ATOM 212 C CYS A 925 -1.009 7.582 3.438 1.00 0.00 C ATOM 213 O CYS A 925 -0.753 8.695 3.894 1.00 0.00 O ATOM 214 CB CYS A 925 -1.692 5.762 5.013 1.00 0.00 C ATOM 215 SG CYS A 925 -0.778 4.352 4.310 1.00 0.00 S ATOM 0 H CYS A 925 -2.266 5.518 2.291 1.00 0.00 H new ATOM 0 HA CYS A 925 -2.893 7.450 4.442 1.00 0.00 H new ATOM 0 HB2 CYS A 925 -1.049 6.279 5.726 1.00 0.00 H new ATOM 0 HB3 CYS A 925 -2.548 5.384 5.571 1.00 0.00 H new ATOM 220 N GLY A 926 -0.297 7.016 2.468 1.00 0.00 N ATOM 221 CA GLY A 926 0.843 7.702 1.888 1.00 0.00 C ATOM 222 C GLY A 926 2.159 7.032 2.232 1.00 0.00 C ATOM 223 O GLY A 926 3.166 7.241 1.555 1.00 0.00 O ATOM 0 H GLY A 926 -0.489 6.095 2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 926 0.729 7.738 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 926 0.861 8.733 2.241 1.00 0.00 H new ATOM 227 N LYS A 927 2.153 6.225 3.287 1.00 0.00 N ATOM 228 CA LYS A 927 3.354 5.522 3.721 1.00 0.00 C ATOM 229 C LYS A 927 3.968 4.733 2.569 1.00 0.00 C ATOM 230 O LYS A 927 3.316 3.875 1.975 1.00 0.00 O ATOM 231 CB LYS A 927 3.028 4.580 4.882 1.00 0.00 C ATOM 232 CG LYS A 927 4.230 3.804 5.392 1.00 0.00 C ATOM 233 CD LYS A 927 5.253 4.722 6.039 1.00 0.00 C ATOM 234 CE LYS A 927 6.600 4.033 6.195 1.00 0.00 C ATOM 235 NZ LYS A 927 7.498 4.774 7.124 1.00 0.00 N ATOM 0 H LYS A 927 1.328 6.041 3.858 1.00 0.00 H new ATOM 0 HA LYS A 927 4.078 6.264 4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 927 2.606 5.161 5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 927 2.260 3.875 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 927 3.902 3.057 6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 927 4.694 3.266 4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 927 5.371 5.621 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 927 4.891 5.041 7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 927 6.449 3.020 6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 927 7.079 3.946 5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 927 8.406 4.272 7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 927 7.663 5.733 6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 927 7.053 4.835 8.062 1.00 0.00 H new ATOM 249 N ALA A 928 5.227 5.028 2.260 1.00 0.00 N ATOM 250 CA ALA A 928 5.929 4.343 1.182 1.00 0.00 C ATOM 251 C ALA A 928 6.759 3.181 1.719 1.00 0.00 C ATOM 252 O ALA A 928 7.667 3.375 2.527 1.00 0.00 O ATOM 253 CB ALA A 928 6.815 5.321 0.425 1.00 0.00 C ATOM 0 H ALA A 928 5.781 5.737 2.741 1.00 0.00 H new ATOM 0 HA ALA A 928 5.185 3.938 0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 928 7.334 4.796 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 928 6.201 6.116 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 928 7.546 5.753 1.108 1.00 0.00 H new ATOM 259 N PHE A 929 6.440 1.974 1.265 1.00 0.00 N ATOM 260 CA PHE A 929 7.156 0.780 1.700 1.00 0.00 C ATOM 261 C PHE A 929 8.191 0.357 0.663 1.00 0.00 C ATOM 262 O PHE A 929 8.042 0.636 -0.528 1.00 0.00 O ATOM 263 CB PHE A 929 6.173 -0.365 1.953 1.00 0.00 C ATOM 264 CG PHE A 929 5.223 -0.102 3.086 1.00 0.00 C ATOM 265 CD1 PHE A 929 4.148 0.756 2.921 1.00 0.00 C ATOM 266 CD2 PHE A 929 5.406 -0.713 4.317 1.00 0.00 C ATOM 267 CE1 PHE A 929 3.273 1.001 3.963 1.00 0.00 C ATOM 268 CE2 PHE A 929 4.534 -0.472 5.362 1.00 0.00 C ATOM 269 CZ PHE A 929 3.466 0.385 5.184 1.00 0.00 C ATOM 0 H PHE A 929 5.691 1.796 0.596 1.00 0.00 H new ATOM 0 HA PHE A 929 7.675 1.017 2.629 1.00 0.00 H new ATOM 0 HB2 PHE A 929 5.600 -0.548 1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 929 6.735 -1.275 2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 929 3.992 1.239 1.968 1.00 0.00 H new ATOM 0 HD2 PHE A 929 6.239 -1.385 4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 929 2.440 1.673 3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 929 4.688 -0.953 6.316 1.00 0.00 H new ATOM 0 HZ PHE A 929 2.782 0.573 5.999 1.00 0.00 H new ATOM 279 N CYS A 930 9.240 -0.316 1.123 1.00 0.00 N ATOM 280 CA CYS A 930 10.302 -0.777 0.235 1.00 0.00 C ATOM 281 C CYS A 930 10.077 -2.229 -0.174 1.00 0.00 C ATOM 282 O CYS A 930 10.494 -2.651 -1.252 1.00 0.00 O ATOM 283 CB CYS A 930 11.663 -0.631 0.917 1.00 0.00 C ATOM 284 SG CYS A 930 11.835 -1.594 2.437 1.00 0.00 S ATOM 0 H CYS A 930 9.378 -0.555 2.105 1.00 0.00 H new ATOM 0 HA CYS A 930 10.285 -0.160 -0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 930 12.442 -0.934 0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 930 11.832 0.421 1.145 1.00 0.00 H new ATOM 0 HG CYS A 930 11.506 -2.831 2.207 1.00 0.00 H new ATOM 290 N TRP A 931 9.419 -2.987 0.695 1.00 0.00 N ATOM 291 CA TRP A 931 9.140 -4.393 0.425 1.00 0.00 C ATOM 292 C TRP A 931 7.771 -4.562 -0.224 1.00 0.00 C ATOM 293 O TRP A 931 6.930 -3.665 -0.166 1.00 0.00 O ATOM 294 CB TRP A 931 9.209 -5.206 1.719 1.00 0.00 C ATOM 295 CG TRP A 931 10.609 -5.533 2.141 1.00 0.00 C ATOM 296 CD1 TRP A 931 11.332 -4.923 3.126 1.00 0.00 C ATOM 297 CD2 TRP A 931 11.455 -6.548 1.590 1.00 0.00 C ATOM 298 NE1 TRP A 931 12.577 -5.497 3.220 1.00 0.00 N ATOM 299 CE2 TRP A 931 12.677 -6.497 2.289 1.00 0.00 C ATOM 300 CE3 TRP A 931 11.299 -7.496 0.575 1.00 0.00 C ATOM 301 CZ2 TRP A 931 13.734 -7.357 2.003 1.00 0.00 C ATOM 302 CZ3 TRP A 931 12.350 -8.348 0.293 1.00 0.00 C ATOM 303 CH2 TRP A 931 13.554 -8.275 1.005 1.00 0.00 C ATOM 0 H TRP A 931 9.069 -2.652 1.592 1.00 0.00 H new ATOM 0 HA TRP A 931 9.897 -4.761 -0.268 1.00 0.00 H new ATOM 0 HB2 TRP A 931 8.718 -4.649 2.516 1.00 0.00 H new ATOM 0 HB3 TRP A 931 8.651 -6.133 1.587 1.00 0.00 H new ATOM 0 HD1 TRP A 931 10.977 -4.109 3.741 1.00 0.00 H new ATOM 0 HE1 TRP A 931 13.308 -5.223 3.876 1.00 0.00 H new ATOM 0 HE3 TRP A 931 10.374 -7.562 0.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 931 14.664 -7.301 2.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 931 12.241 -9.083 -0.490 1.00 0.00 H new ATOM 0 HH2 TRP A 931 14.356 -8.957 0.761 1.00 0.00 H new ATOM 314 N LYS A 932 7.553 -5.718 -0.843 1.00 0.00 N ATOM 315 CA LYS A 932 6.285 -6.005 -1.502 1.00 0.00 C ATOM 316 C LYS A 932 5.334 -6.736 -0.558 1.00 0.00 C ATOM 317 O LYS A 932 4.203 -6.302 -0.342 1.00 0.00 O ATOM 318 CB LYS A 932 6.519 -6.846 -2.759 1.00 0.00 C ATOM 319 CG LYS A 932 5.306 -6.929 -3.670 1.00 0.00 C ATOM 320 CD LYS A 932 5.671 -7.491 -5.034 1.00 0.00 C ATOM 321 CE LYS A 932 4.543 -7.299 -6.036 1.00 0.00 C ATOM 322 NZ LYS A 932 4.602 -8.300 -7.136 1.00 0.00 N ATOM 0 H LYS A 932 8.239 -6.471 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 932 5.829 -5.057 -1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 932 7.354 -6.424 -3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 932 6.810 -7.854 -2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 932 4.545 -7.558 -3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 932 4.870 -5.937 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 932 6.573 -7.001 -5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 932 5.900 -8.553 -4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 932 3.584 -7.379 -5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 932 4.597 -6.295 -6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 932 3.817 -8.135 -7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 932 5.506 -8.207 -7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 932 4.525 -9.258 -6.738 1.00 0.00 H new ATOM 336 N SER A 933 5.802 -7.847 0.002 1.00 0.00 N ATOM 337 CA SER A 933 4.993 -8.639 0.921 1.00 0.00 C ATOM 338 C SER A 933 4.469 -7.777 2.065 1.00 0.00 C ATOM 339 O SER A 933 3.334 -7.943 2.512 1.00 0.00 O ATOM 340 CB SER A 933 5.811 -9.805 1.479 1.00 0.00 C ATOM 341 OG SER A 933 7.088 -9.370 1.914 1.00 0.00 O ATOM 0 H SER A 933 6.737 -8.219 -0.165 1.00 0.00 H new ATOM 0 HA SER A 933 4.141 -9.034 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 933 5.276 -10.263 2.311 1.00 0.00 H new ATOM 0 HB3 SER A 933 5.926 -10.572 0.713 1.00 0.00 H new ATOM 0 HG SER A 933 6.982 -8.664 2.585 1.00 0.00 H new ATOM 347 N GLN A 934 5.304 -6.855 2.533 1.00 0.00 N ATOM 348 CA GLN A 934 4.926 -5.967 3.626 1.00 0.00 C ATOM 349 C GLN A 934 3.733 -5.101 3.235 1.00 0.00 C ATOM 350 O GLN A 934 2.966 -4.658 4.092 1.00 0.00 O ATOM 351 CB GLN A 934 6.107 -5.079 4.022 1.00 0.00 C ATOM 352 CG GLN A 934 6.994 -5.690 5.095 1.00 0.00 C ATOM 353 CD GLN A 934 8.099 -6.553 4.519 1.00 0.00 C ATOM 354 OE1 GLN A 934 7.905 -7.241 3.516 1.00 0.00 O ATOM 355 NE2 GLN A 934 9.266 -6.520 5.150 1.00 0.00 N ATOM 0 H GLN A 934 6.246 -6.703 2.173 1.00 0.00 H new ATOM 0 HA GLN A 934 4.642 -6.583 4.479 1.00 0.00 H new ATOM 0 HB2 GLN A 934 6.710 -4.874 3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 934 5.728 -4.121 4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 934 7.436 -4.893 5.693 1.00 0.00 H new ATOM 0 HG3 GLN A 934 6.382 -6.291 5.767 1.00 0.00 H new ATOM 0 HE21 GLN A 934 9.382 -5.935 5.978 1.00 0.00 H new ATOM 0 HE22 GLN A 934 10.047 -7.079 4.807 1.00 0.00 H new ATOM 364 N LEU A 935 3.582 -4.862 1.937 1.00 0.00 N ATOM 365 CA LEU A 935 2.481 -4.048 1.432 1.00 0.00 C ATOM 366 C LEU A 935 1.224 -4.891 1.240 1.00 0.00 C ATOM 367 O LEU A 935 0.111 -4.425 1.484 1.00 0.00 O ATOM 368 CB LEU A 935 2.874 -3.389 0.109 1.00 0.00 C ATOM 369 CG LEU A 935 1.891 -2.357 -0.445 1.00 0.00 C ATOM 370 CD1 LEU A 935 2.121 -1.000 0.201 1.00 0.00 C ATOM 371 CD2 LEU A 935 2.018 -2.258 -1.958 1.00 0.00 C ATOM 0 H LEU A 935 4.208 -5.220 1.215 1.00 0.00 H new ATOM 0 HA LEU A 935 2.267 -3.273 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 935 3.842 -2.905 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 935 3.008 -4.171 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 935 0.879 -2.683 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 935 1.412 -0.279 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 935 1.978 -1.081 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 935 3.138 -0.666 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 935 1.311 -1.519 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 935 3.032 -1.956 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 935 1.802 -3.228 -2.406 1.00 0.00 H new ATOM 383 N ILE A 936 1.411 -6.132 0.805 1.00 0.00 N ATOM 384 CA ILE A 936 0.292 -7.040 0.584 1.00 0.00 C ATOM 385 C ILE A 936 -0.577 -7.155 1.831 1.00 0.00 C ATOM 386 O ILE A 936 -1.802 -7.234 1.741 1.00 0.00 O ATOM 387 CB ILE A 936 0.778 -8.444 0.179 1.00 0.00 C ATOM 388 CG1 ILE A 936 1.641 -8.366 -1.082 1.00 0.00 C ATOM 389 CG2 ILE A 936 -0.407 -9.372 -0.040 1.00 0.00 C ATOM 390 CD1 ILE A 936 2.325 -9.669 -1.429 1.00 0.00 C ATOM 0 H ILE A 936 2.326 -6.532 0.599 1.00 0.00 H new ATOM 0 HA ILE A 936 -0.299 -6.620 -0.230 1.00 0.00 H new ATOM 0 HB ILE A 936 1.387 -8.848 0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 936 1.017 -8.058 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 936 2.397 -7.593 -0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 936 -0.047 -10.360 -0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 936 -0.984 -9.448 0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 936 -1.040 -8.973 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 936 2.919 -9.539 -2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 936 2.976 -9.968 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 936 1.574 -10.441 -1.596 1.00 0.00 H new ATOM 402 N MET A 937 0.065 -7.161 2.995 1.00 0.00 N ATOM 403 CA MET A 937 -0.650 -7.263 4.261 1.00 0.00 C ATOM 404 C MET A 937 -1.095 -5.887 4.747 1.00 0.00 C ATOM 405 O MET A 937 -2.073 -5.764 5.485 1.00 0.00 O ATOM 406 CB MET A 937 0.233 -7.929 5.318 1.00 0.00 C ATOM 407 CG MET A 937 0.420 -9.422 5.102 1.00 0.00 C ATOM 408 SD MET A 937 1.738 -10.111 6.120 1.00 0.00 S ATOM 409 CE MET A 937 1.434 -11.866 5.925 1.00 0.00 C ATOM 0 H MET A 937 1.079 -7.096 3.087 1.00 0.00 H new ATOM 0 HA MET A 937 -1.537 -7.876 4.100 1.00 0.00 H new ATOM 0 HB2 MET A 937 1.210 -7.446 5.320 1.00 0.00 H new ATOM 0 HB3 MET A 937 -0.206 -7.765 6.302 1.00 0.00 H new ATOM 0 HG2 MET A 937 -0.514 -9.937 5.326 1.00 0.00 H new ATOM 0 HG3 MET A 937 0.643 -9.608 4.051 1.00 0.00 H new ATOM 0 HE1 MET A 937 2.171 -12.429 6.498 1.00 0.00 H new ATOM 0 HE2 MET A 937 0.434 -12.104 6.287 1.00 0.00 H new ATOM 0 HE3 MET A 937 1.512 -12.134 4.871 1.00 0.00 H new ATOM 419 N HIS A 938 -0.371 -4.854 4.328 1.00 0.00 N ATOM 420 CA HIS A 938 -0.692 -3.486 4.720 1.00 0.00 C ATOM 421 C HIS A 938 -2.063 -3.077 4.191 1.00 0.00 C ATOM 422 O HIS A 938 -2.751 -2.255 4.796 1.00 0.00 O ATOM 423 CB HIS A 938 0.376 -2.521 4.204 1.00 0.00 C ATOM 424 CG HIS A 938 0.050 -1.080 4.450 1.00 0.00 C ATOM 425 ND1 HIS A 938 0.262 -0.457 5.661 1.00 0.00 N ATOM 426 CD2 HIS A 938 -0.474 -0.139 3.630 1.00 0.00 C ATOM 427 CE1 HIS A 938 -0.119 0.805 5.577 1.00 0.00 C ATOM 428 NE2 HIS A 938 -0.569 1.024 4.354 1.00 0.00 N ATOM 0 H HIS A 938 0.442 -4.938 3.717 1.00 0.00 H new ATOM 0 HA HIS A 938 -0.715 -3.442 5.809 1.00 0.00 H new ATOM 0 HB2 HIS A 938 1.328 -2.756 4.681 1.00 0.00 H new ATOM 0 HB3 HIS A 938 0.509 -2.677 3.133 1.00 0.00 H new ATOM 0 HD1 HIS A 938 0.652 -0.901 6.492 1.00 0.00 H new ATOM 0 HD2 HIS A 938 -0.763 -0.277 2.599 1.00 0.00 H new ATOM 0 HE1 HIS A 938 -0.071 1.534 6.373 1.00 0.00 H new ATOM 436 N GLN A 939 -2.452 -3.656 3.060 1.00 0.00 N ATOM 437 CA GLN A 939 -3.741 -3.349 2.449 1.00 0.00 C ATOM 438 C GLN A 939 -4.874 -4.054 3.187 1.00 0.00 C ATOM 439 O GLN A 939 -6.013 -3.587 3.186 1.00 0.00 O ATOM 440 CB GLN A 939 -3.742 -3.761 0.976 1.00 0.00 C ATOM 441 CG GLN A 939 -2.814 -2.925 0.110 1.00 0.00 C ATOM 442 CD GLN A 939 -2.917 -3.274 -1.362 1.00 0.00 C ATOM 443 OE1 GLN A 939 -3.924 -3.819 -1.813 1.00 0.00 O ATOM 444 NE2 GLN A 939 -1.872 -2.960 -2.119 1.00 0.00 N ATOM 0 H GLN A 939 -1.894 -4.340 2.548 1.00 0.00 H new ATOM 0 HA GLN A 939 -3.901 -2.273 2.518 1.00 0.00 H new ATOM 0 HB2 GLN A 939 -3.451 -4.809 0.900 1.00 0.00 H new ATOM 0 HB3 GLN A 939 -4.757 -3.683 0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 939 -3.049 -1.869 0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 939 -1.786 -3.068 0.442 1.00 0.00 H new ATOM 0 HE21 GLN A 939 -1.058 -2.509 -1.702 1.00 0.00 H new ATOM 0 HE22 GLN A 939 -1.884 -3.170 -3.117 1.00 0.00 H new ATOM 453 N ARG A 940 -4.554 -5.180 3.816 1.00 0.00 N ATOM 454 CA ARG A 940 -5.546 -5.950 4.557 1.00 0.00 C ATOM 455 C ARG A 940 -6.262 -5.072 5.580 1.00 0.00 C ATOM 456 O ARG A 940 -7.491 -4.993 5.594 1.00 0.00 O ATOM 457 CB ARG A 940 -4.882 -7.134 5.262 1.00 0.00 C ATOM 458 CG ARG A 940 -5.868 -8.179 5.758 1.00 0.00 C ATOM 459 CD ARG A 940 -6.263 -9.142 4.650 1.00 0.00 C ATOM 460 NE ARG A 940 -5.331 -10.259 4.537 1.00 0.00 N ATOM 461 CZ ARG A 940 -5.493 -11.269 3.689 1.00 0.00 C ATOM 462 NH1 ARG A 940 -6.546 -11.301 2.884 1.00 0.00 N ATOM 463 NH2 ARG A 940 -4.600 -12.250 3.645 1.00 0.00 N ATOM 0 H ARG A 940 -3.616 -5.579 3.827 1.00 0.00 H new ATOM 0 HA ARG A 940 -6.282 -6.326 3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -4.179 -7.607 4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -4.302 -6.764 6.107 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -5.425 -8.735 6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -6.758 -7.685 6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -7.265 -9.525 4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -6.303 -8.606 3.702 1.00 0.00 H new ATOM 0 HE ARG A 940 -4.510 -10.265 5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -7.234 -10.549 2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -6.668 -12.078 2.234 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -3.788 -12.229 4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -4.725 -13.025 2.994 1.00 0.00 H new ATOM 477 N THR A 941 -5.486 -4.414 6.435 1.00 0.00 N ATOM 478 CA THR A 941 -6.045 -3.544 7.462 1.00 0.00 C ATOM 479 C THR A 941 -6.826 -2.392 6.840 1.00 0.00 C ATOM 480 O THR A 941 -7.737 -1.841 7.459 1.00 0.00 O ATOM 481 CB THR A 941 -4.944 -2.971 8.373 1.00 0.00 C ATOM 482 OG1 THR A 941 -5.499 -1.986 9.252 1.00 0.00 O ATOM 483 CG2 THR A 941 -3.827 -2.350 7.548 1.00 0.00 C ATOM 0 H THR A 941 -4.467 -4.467 6.437 1.00 0.00 H new ATOM 0 HA THR A 941 -6.720 -4.155 8.062 1.00 0.00 H new ATOM 0 HB THR A 941 -4.528 -3.789 8.961 1.00 0.00 H new ATOM 0 HG1 THR A 941 -4.793 -1.628 9.829 1.00 0.00 H new ATOM 0 HG21 THR A 941 -3.061 -1.952 8.214 1.00 0.00 H new ATOM 0 HG22 THR A 941 -3.387 -3.109 6.901 1.00 0.00 H new ATOM 0 HG23 THR A 941 -4.231 -1.543 6.937 1.00 0.00 H new ATOM 491 N HIS A 942 -6.464 -2.031 5.613 1.00 0.00 N ATOM 492 CA HIS A 942 -7.132 -0.944 4.907 1.00 0.00 C ATOM 493 C HIS A 942 -8.485 -1.398 4.367 1.00 0.00 C ATOM 494 O HIS A 942 -8.657 -1.569 3.160 1.00 0.00 O ATOM 495 CB HIS A 942 -6.256 -0.437 3.761 1.00 0.00 C ATOM 496 CG HIS A 942 -5.289 0.629 4.174 1.00 0.00 C ATOM 497 ND1 HIS A 942 -5.653 1.724 4.929 1.00 0.00 N ATOM 498 CD2 HIS A 942 -3.964 0.764 3.933 1.00 0.00 C ATOM 499 CE1 HIS A 942 -4.593 2.487 5.134 1.00 0.00 C ATOM 500 NE2 HIS A 942 -3.555 1.926 4.540 1.00 0.00 N ATOM 0 H HIS A 942 -5.712 -2.476 5.087 1.00 0.00 H new ATOM 0 HA HIS A 942 -7.297 -0.131 5.614 1.00 0.00 H new ATOM 0 HB2 HIS A 942 -5.702 -1.276 3.340 1.00 0.00 H new ATOM 0 HB3 HIS A 942 -6.897 -0.048 2.969 1.00 0.00 H new ATOM 0 HD1 HIS A 942 -6.593 1.915 5.275 1.00 0.00 H new ATOM 0 HD2 HIS A 942 -3.344 0.084 3.368 1.00 0.00 H new ATOM 0 HE1 HIS A 942 -4.578 3.412 5.692 1.00 0.00 H new ATOM 508 N VAL A 943 -9.442 -1.592 5.268 1.00 0.00 N ATOM 509 CA VAL A 943 -10.780 -2.025 4.882 1.00 0.00 C ATOM 510 C VAL A 943 -11.368 -1.109 3.815 1.00 0.00 C ATOM 511 O VAL A 943 -11.216 0.111 3.878 1.00 0.00 O ATOM 512 CB VAL A 943 -11.730 -2.060 6.094 1.00 0.00 C ATOM 513 CG1 VAL A 943 -11.295 -3.129 7.084 1.00 0.00 C ATOM 514 CG2 VAL A 943 -11.790 -0.695 6.763 1.00 0.00 C ATOM 0 H VAL A 943 -9.316 -1.456 6.271 1.00 0.00 H new ATOM 0 HA VAL A 943 -10.682 -3.032 4.477 1.00 0.00 H new ATOM 0 HB VAL A 943 -12.730 -2.311 5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 943 -11.978 -3.138 7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 943 -11.309 -4.104 6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 943 -10.285 -2.912 7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 943 -12.466 -0.738 7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 943 -10.794 -0.412 7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 943 -12.154 0.044 6.049 1.00 0.00 H new ATOM 524 N ASP A 944 -12.039 -1.705 2.836 1.00 0.00 N ATOM 525 CA ASP A 944 -12.652 -0.943 1.754 1.00 0.00 C ATOM 526 C ASP A 944 -14.141 -0.738 2.010 1.00 0.00 C ATOM 527 O ASP A 944 -14.905 -1.700 2.093 1.00 0.00 O ATOM 528 CB ASP A 944 -12.445 -1.657 0.417 1.00 0.00 C ATOM 529 CG ASP A 944 -12.658 -0.737 -0.769 1.00 0.00 C ATOM 530 OD1 ASP A 944 -12.289 0.452 -0.671 1.00 0.00 O ATOM 531 OD2 ASP A 944 -13.193 -1.207 -1.795 1.00 0.00 O ATOM 0 H ASP A 944 -12.172 -2.714 2.769 1.00 0.00 H new ATOM 0 HA ASP A 944 -12.171 0.034 1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 944 -11.435 -2.066 0.379 1.00 0.00 H new ATOM 0 HB3 ASP A 944 -13.133 -2.500 0.348 1.00 0.00 H new ATOM 536 N ASP A 945 -14.547 0.521 2.136 1.00 0.00 N ATOM 537 CA ASP A 945 -15.945 0.853 2.383 1.00 0.00 C ATOM 538 C ASP A 945 -16.426 1.933 1.419 1.00 0.00 C ATOM 539 O ASP A 945 -16.646 3.079 1.813 1.00 0.00 O ATOM 540 CB ASP A 945 -16.134 1.319 3.827 1.00 0.00 C ATOM 541 CG ASP A 945 -15.027 2.249 4.284 1.00 0.00 C ATOM 542 OD1 ASP A 945 -14.698 3.194 3.536 1.00 0.00 O ATOM 543 OD2 ASP A 945 -14.490 2.033 5.390 1.00 0.00 O ATOM 0 H ASP A 945 -13.927 1.328 2.071 1.00 0.00 H new ATOM 0 HA ASP A 945 -16.540 -0.045 2.219 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -17.093 1.828 3.919 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -16.170 0.450 4.485 1.00 0.00 H new ATOM 548 N LYS A 946 -16.586 1.561 0.154 1.00 0.00 N ATOM 549 CA LYS A 946 -17.041 2.498 -0.867 1.00 0.00 C ATOM 550 C LYS A 946 -18.329 2.008 -1.520 1.00 0.00 C ATOM 551 O LYS A 946 -18.308 1.111 -2.363 1.00 0.00 O ATOM 552 CB LYS A 946 -15.958 2.688 -1.932 1.00 0.00 C ATOM 553 CG LYS A 946 -16.105 3.974 -2.726 1.00 0.00 C ATOM 554 CD LYS A 946 -14.763 4.468 -3.240 1.00 0.00 C ATOM 555 CE LYS A 946 -13.954 5.134 -2.138 1.00 0.00 C ATOM 556 NZ LYS A 946 -14.649 6.328 -1.583 1.00 0.00 N ATOM 0 H LYS A 946 -16.407 0.617 -0.189 1.00 0.00 H new ATOM 0 HA LYS A 946 -17.240 3.455 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 946 -14.980 2.678 -1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 946 -15.983 1.842 -2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 946 -16.779 3.809 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 946 -16.560 4.740 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 946 -14.199 3.631 -3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 946 -14.922 5.175 -4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 946 -13.770 4.416 -1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 946 -12.981 5.430 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 946 -13.950 6.971 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 946 -15.155 6.821 -2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 946 -15.328 6.027 -0.855 1.00 0.00 H new ATOM 570 N HIS A 947 -19.451 2.603 -1.125 1.00 0.00 N ATOM 571 CA HIS A 947 -20.749 2.228 -1.674 1.00 0.00 C ATOM 572 C HIS A 947 -20.933 2.802 -3.075 1.00 0.00 C ATOM 573 O HIS A 947 -20.967 4.019 -3.259 1.00 0.00 O ATOM 574 CB HIS A 947 -21.873 2.716 -0.759 1.00 0.00 C ATOM 575 CG HIS A 947 -23.135 1.919 -0.883 1.00 0.00 C ATOM 576 ND1 HIS A 947 -24.158 2.260 -1.742 1.00 0.00 N ATOM 577 CD2 HIS A 947 -23.536 0.790 -0.253 1.00 0.00 C ATOM 578 CE1 HIS A 947 -25.134 1.377 -1.634 1.00 0.00 C ATOM 579 NE2 HIS A 947 -24.781 0.474 -0.737 1.00 0.00 N ATOM 0 H HIS A 947 -19.487 3.346 -0.427 1.00 0.00 H new ATOM 0 HA HIS A 947 -20.788 1.141 -1.738 1.00 0.00 H new ATOM 0 HB2 HIS A 947 -21.530 2.680 0.275 1.00 0.00 H new ATOM 0 HB3 HIS A 947 -22.088 3.760 -0.987 1.00 0.00 H new ATOM 0 HD2 HIS A 947 -22.980 0.240 0.492 1.00 0.00 H new ATOM 0 HE1 HIS A 947 -26.063 1.391 -2.185 1.00 0.00 H new ATOM 0 HE2 HIS A 947 -25.342 -0.328 -0.450 1.00 0.00 H new ATOM 587 N SER A 948 -21.051 1.918 -4.061 1.00 0.00 N ATOM 588 CA SER A 948 -21.227 2.337 -5.446 1.00 0.00 C ATOM 589 C SER A 948 -22.636 2.876 -5.677 1.00 0.00 C ATOM 590 O SER A 948 -23.616 2.301 -5.207 1.00 0.00 O ATOM 591 CB SER A 948 -20.955 1.167 -6.394 1.00 0.00 C ATOM 592 OG SER A 948 -21.205 1.532 -7.740 1.00 0.00 O ATOM 0 H SER A 948 -21.028 0.907 -3.926 1.00 0.00 H new ATOM 0 HA SER A 948 -20.513 3.135 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 948 -19.920 0.842 -6.288 1.00 0.00 H new ATOM 0 HB3 SER A 948 -21.584 0.320 -6.121 1.00 0.00 H new ATOM 0 HG SER A 948 -21.022 0.768 -8.326 1.00 0.00 H new ATOM 598 N GLY A 949 -22.727 3.985 -6.404 1.00 0.00 N ATOM 599 CA GLY A 949 -24.019 4.584 -6.684 1.00 0.00 C ATOM 600 C GLY A 949 -24.979 3.610 -7.338 1.00 0.00 C ATOM 601 O GLY A 949 -24.637 2.461 -7.620 1.00 0.00 O ATOM 0 H GLY A 949 -21.930 4.479 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 949 -24.455 4.951 -5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 949 -23.882 5.448 -7.335 1.00 0.00 H new ATOM 605 N PRO A 950 -26.215 4.069 -7.588 1.00 0.00 N ATOM 606 CA PRO A 950 -27.253 3.246 -8.215 1.00 0.00 C ATOM 607 C PRO A 950 -26.958 2.957 -9.682 1.00 0.00 C ATOM 608 O PRO A 950 -27.118 1.829 -10.147 1.00 0.00 O ATOM 609 CB PRO A 950 -28.514 4.104 -8.082 1.00 0.00 C ATOM 610 CG PRO A 950 -28.012 5.504 -7.996 1.00 0.00 C ATOM 611 CD PRO A 950 -26.692 5.428 -7.279 1.00 0.00 C ATOM 0 HA PRO A 950 -27.335 2.266 -7.744 1.00 0.00 H new ATOM 0 HB2 PRO A 950 -29.175 3.972 -8.939 1.00 0.00 H new ATOM 0 HB3 PRO A 950 -29.085 3.833 -7.194 1.00 0.00 H new ATOM 0 HG2 PRO A 950 -27.892 5.937 -8.989 1.00 0.00 H new ATOM 0 HG3 PRO A 950 -28.714 6.138 -7.454 1.00 0.00 H new ATOM 0 HD2 PRO A 950 -25.997 6.189 -7.635 1.00 0.00 H new ATOM 0 HD3 PRO A 950 -26.808 5.579 -6.206 1.00 0.00 H new ATOM 619 N SER A 951 -26.525 3.984 -10.407 1.00 0.00 N ATOM 620 CA SER A 951 -26.210 3.841 -11.824 1.00 0.00 C ATOM 621 C SER A 951 -24.775 3.359 -12.015 1.00 0.00 C ATOM 622 O SER A 951 -24.031 3.190 -11.049 1.00 0.00 O ATOM 623 CB SER A 951 -26.414 5.171 -12.551 1.00 0.00 C ATOM 624 OG SER A 951 -25.443 6.124 -12.153 1.00 0.00 O ATOM 0 H SER A 951 -26.384 4.924 -10.037 1.00 0.00 H new ATOM 0 HA SER A 951 -26.885 3.097 -12.247 1.00 0.00 H new ATOM 0 HB2 SER A 951 -26.353 5.013 -13.628 1.00 0.00 H new ATOM 0 HB3 SER A 951 -27.412 5.555 -12.341 1.00 0.00 H new ATOM 0 HG SER A 951 -25.594 6.965 -12.633 1.00 0.00 H new ATOM 630 N SER A 952 -24.394 3.139 -13.269 1.00 0.00 N ATOM 631 CA SER A 952 -23.050 2.672 -13.589 1.00 0.00 C ATOM 632 C SER A 952 -22.683 3.018 -15.029 1.00 0.00 C ATOM 633 O SER A 952 -23.349 2.592 -15.971 1.00 0.00 O ATOM 634 CB SER A 952 -22.947 1.161 -13.373 1.00 0.00 C ATOM 635 OG SER A 952 -22.662 0.857 -12.019 1.00 0.00 O ATOM 0 H SER A 952 -24.997 3.277 -14.080 1.00 0.00 H new ATOM 0 HA SER A 952 -22.349 3.175 -12.923 1.00 0.00 H new ATOM 0 HB2 SER A 952 -23.882 0.684 -13.667 1.00 0.00 H new ATOM 0 HB3 SER A 952 -22.165 0.752 -14.013 1.00 0.00 H new ATOM 0 HG SER A 952 -23.018 1.566 -11.443 1.00 0.00 H new ATOM 641 N GLY A 953 -21.615 3.794 -15.191 1.00 0.00 N ATOM 642 CA GLY A 953 -21.177 4.185 -16.518 1.00 0.00 C ATOM 643 C GLY A 953 -19.760 4.723 -16.525 1.00 0.00 C ATOM 644 O GLY A 953 -19.121 4.712 -17.576 1.00 0.00 O ATOM 0 H GLY A 953 -21.046 4.158 -14.427 1.00 0.00 H new ATOM 0 HA2 GLY A 953 -21.240 3.326 -17.186 1.00 0.00 H new ATOM 0 HA3 GLY A 953 -21.853 4.944 -16.911 1.00 0.00 H new TER 648 GLY A 953 HETATM 649 ZN ZN A 201 -1.840 2.531 3.729 1.00 0.00 ZN