USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=15 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 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+ 153:sc= -0.112 (180deg=-0.621) 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+ -175:sc= 0 (180deg=-0.0122) USER MOD Single : A 930 CYS SG : rot -70:sc= 0.555 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 X(o=0,f=-0.15) 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 180:sc= 0 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) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 908 21.570 20.787 -8.943 1.00 0.00 N ATOM 2 CA GLY A 908 20.418 19.904 -8.937 1.00 0.00 C ATOM 3 C GLY A 908 19.381 20.311 -7.909 1.00 0.00 C ATOM 4 O GLY A 908 19.723 20.777 -6.823 1.00 0.00 O ATOM 0 HA2 GLY A 908 19.962 19.900 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 908 20.746 18.885 -8.733 1.00 0.00 H new ATOM 8 N SER A 909 18.109 20.136 -8.253 1.00 0.00 N ATOM 9 CA SER A 909 17.018 20.494 -7.354 1.00 0.00 C ATOM 10 C SER A 909 16.433 19.251 -6.689 1.00 0.00 C ATOM 11 O SER A 909 16.140 19.253 -5.493 1.00 0.00 O ATOM 12 CB SER A 909 15.923 21.240 -8.118 1.00 0.00 C ATOM 13 OG SER A 909 16.333 22.559 -8.438 1.00 0.00 O ATOM 0 H SER A 909 17.809 19.749 -9.147 1.00 0.00 H new ATOM 0 HA SER A 909 17.418 21.147 -6.578 1.00 0.00 H new ATOM 0 HB2 SER A 909 15.680 20.699 -9.033 1.00 0.00 H new ATOM 0 HB3 SER A 909 15.014 21.274 -7.517 1.00 0.00 H new ATOM 0 HG SER A 909 15.617 23.015 -8.928 1.00 0.00 H new ATOM 19 N SER A 910 16.264 18.192 -7.473 1.00 0.00 N ATOM 20 CA SER A 910 15.710 16.943 -6.963 1.00 0.00 C ATOM 21 C SER A 910 16.819 15.937 -6.669 1.00 0.00 C ATOM 22 O SER A 910 17.866 15.943 -7.315 1.00 0.00 O ATOM 23 CB SER A 910 14.722 16.350 -7.969 1.00 0.00 C ATOM 24 OG SER A 910 13.499 17.066 -7.964 1.00 0.00 O ATOM 0 H SER A 910 16.503 18.173 -8.464 1.00 0.00 H new ATOM 0 HA SER A 910 15.184 17.160 -6.033 1.00 0.00 H new ATOM 0 HB2 SER A 910 15.157 16.374 -8.968 1.00 0.00 H new ATOM 0 HB3 SER A 910 14.536 15.304 -7.727 1.00 0.00 H new ATOM 0 HG SER A 910 12.885 16.669 -8.616 1.00 0.00 H new ATOM 30 N GLY A 911 16.580 15.072 -5.687 1.00 0.00 N ATOM 31 CA GLY A 911 17.566 14.072 -5.324 1.00 0.00 C ATOM 32 C GLY A 911 18.453 14.521 -4.179 1.00 0.00 C ATOM 33 O GLY A 911 19.657 14.710 -4.355 1.00 0.00 O ATOM 0 H GLY A 911 15.721 15.047 -5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 911 17.057 13.149 -5.045 1.00 0.00 H new ATOM 0 HA3 GLY A 911 18.185 13.845 -6.192 1.00 0.00 H new ATOM 37 N SER A 912 17.857 14.695 -3.004 1.00 0.00 N ATOM 38 CA SER A 912 18.600 15.131 -1.827 1.00 0.00 C ATOM 39 C SER A 912 18.485 14.107 -0.702 1.00 0.00 C ATOM 40 O SER A 912 19.486 13.709 -0.106 1.00 0.00 O ATOM 41 CB SER A 912 18.087 16.490 -1.348 1.00 0.00 C ATOM 42 OG SER A 912 18.845 16.963 -0.248 1.00 0.00 O ATOM 0 H SER A 912 16.862 14.541 -2.841 1.00 0.00 H new ATOM 0 HA SER A 912 19.650 15.224 -2.105 1.00 0.00 H new ATOM 0 HB2 SER A 912 18.138 17.210 -2.165 1.00 0.00 H new ATOM 0 HB3 SER A 912 17.039 16.406 -1.062 1.00 0.00 H new ATOM 0 HG SER A 912 18.498 17.834 0.038 1.00 0.00 H new ATOM 48 N SER A 913 17.258 13.684 -0.418 1.00 0.00 N ATOM 49 CA SER A 913 17.010 12.709 0.637 1.00 0.00 C ATOM 50 C SER A 913 17.525 11.330 0.235 1.00 0.00 C ATOM 51 O SER A 913 18.307 10.712 0.957 1.00 0.00 O ATOM 52 CB SER A 913 15.514 12.635 0.952 1.00 0.00 C ATOM 53 OG SER A 913 15.143 13.622 1.898 1.00 0.00 O ATOM 0 H SER A 913 16.419 14.001 -0.904 1.00 0.00 H new ATOM 0 HA SER A 913 17.546 13.032 1.529 1.00 0.00 H new ATOM 0 HB2 SER A 913 14.939 12.770 0.036 1.00 0.00 H new ATOM 0 HB3 SER A 913 15.269 11.646 1.339 1.00 0.00 H new ATOM 0 HG SER A 913 14.183 13.555 2.081 1.00 0.00 H new ATOM 59 N GLY A 914 17.081 10.854 -0.924 1.00 0.00 N ATOM 60 CA GLY A 914 17.507 9.552 -1.404 1.00 0.00 C ATOM 61 C GLY A 914 17.690 9.519 -2.908 1.00 0.00 C ATOM 62 O GLY A 914 17.695 10.562 -3.564 1.00 0.00 O ATOM 0 H GLY A 914 16.434 11.347 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 914 18.445 9.280 -0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 914 16.770 8.803 -1.114 1.00 0.00 H new ATOM 66 N THR A 915 17.843 8.319 -3.458 1.00 0.00 N ATOM 67 CA THR A 915 18.031 8.155 -4.894 1.00 0.00 C ATOM 68 C THR A 915 16.745 7.688 -5.567 1.00 0.00 C ATOM 69 O THR A 915 16.403 8.144 -6.657 1.00 0.00 O ATOM 70 CB THR A 915 19.154 7.146 -5.202 1.00 0.00 C ATOM 71 OG1 THR A 915 20.136 7.173 -4.160 1.00 0.00 O ATOM 72 CG2 THR A 915 19.813 7.461 -6.536 1.00 0.00 C ATOM 0 H THR A 915 17.840 7.446 -2.931 1.00 0.00 H new ATOM 0 HA THR A 915 18.311 9.131 -5.290 1.00 0.00 H new ATOM 0 HB THR A 915 18.713 6.151 -5.259 1.00 0.00 H new ATOM 0 HG1 THR A 915 20.845 6.528 -4.362 1.00 0.00 H new ATOM 0 HG21 THR A 915 20.603 6.736 -6.732 1.00 0.00 H new ATOM 0 HG22 THR A 915 19.068 7.411 -7.331 1.00 0.00 H new ATOM 0 HG23 THR A 915 20.241 8.463 -6.503 1.00 0.00 H new ATOM 80 N GLY A 916 16.036 6.775 -4.909 1.00 0.00 N ATOM 81 CA GLY A 916 14.795 6.262 -5.460 1.00 0.00 C ATOM 82 C GLY A 916 14.528 4.828 -5.050 1.00 0.00 C ATOM 83 O GLY A 916 14.596 3.918 -5.875 1.00 0.00 O ATOM 0 H GLY A 916 16.299 6.382 -4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 916 13.968 6.891 -5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 916 14.830 6.325 -6.548 1.00 0.00 H new ATOM 87 N GLU A 917 14.227 4.625 -3.771 1.00 0.00 N ATOM 88 CA GLU A 917 13.952 3.290 -3.254 1.00 0.00 C ATOM 89 C GLU A 917 12.506 3.177 -2.780 1.00 0.00 C ATOM 90 O GLU A 917 12.231 2.630 -1.712 1.00 0.00 O ATOM 91 CB GLU A 917 14.905 2.958 -2.103 1.00 0.00 C ATOM 92 CG GLU A 917 14.797 3.916 -0.929 1.00 0.00 C ATOM 93 CD GLU A 917 15.794 3.605 0.171 1.00 0.00 C ATOM 94 OE1 GLU A 917 16.809 2.938 -0.119 1.00 0.00 O ATOM 95 OE2 GLU A 917 15.559 4.030 1.321 1.00 0.00 O ATOM 0 H GLU A 917 14.168 5.368 -3.075 1.00 0.00 H new ATOM 0 HA GLU A 917 14.108 2.576 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 917 14.702 1.945 -1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 917 15.929 2.967 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 917 14.956 4.935 -1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 917 13.787 3.873 -0.522 1.00 0.00 H new ATOM 102 N LYS A 918 11.584 3.698 -3.582 1.00 0.00 N ATOM 103 CA LYS A 918 10.166 3.657 -3.248 1.00 0.00 C ATOM 104 C LYS A 918 9.362 3.003 -4.367 1.00 0.00 C ATOM 105 O LYS A 918 8.615 3.660 -5.093 1.00 0.00 O ATOM 106 CB LYS A 918 9.640 5.070 -2.986 1.00 0.00 C ATOM 107 CG LYS A 918 9.865 5.549 -1.562 1.00 0.00 C ATOM 108 CD LYS A 918 11.227 6.203 -1.402 1.00 0.00 C ATOM 109 CE LYS A 918 11.175 7.687 -1.731 1.00 0.00 C ATOM 110 NZ LYS A 918 10.305 8.435 -0.782 1.00 0.00 N ATOM 0 H LYS A 918 11.794 4.154 -4.470 1.00 0.00 H new ATOM 0 HA LYS A 918 10.049 3.060 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 918 10.125 5.762 -3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 918 8.573 5.098 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 918 9.085 6.260 -1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 918 9.783 4.706 -0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 918 11.579 6.068 -0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 918 11.948 5.710 -2.054 1.00 0.00 H new ATOM 0 HE2 LYS A 918 12.183 8.101 -1.703 1.00 0.00 H new ATOM 0 HE3 LYS A 918 10.804 7.821 -2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 918 10.625 9.423 -0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 918 9.321 8.409 -1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 918 10.360 7.996 0.159 1.00 0.00 H new ATOM 124 N PRO A 919 9.515 1.678 -4.511 1.00 0.00 N ATOM 125 CA PRO A 919 8.809 0.907 -5.539 1.00 0.00 C ATOM 126 C PRO A 919 7.314 0.802 -5.260 1.00 0.00 C ATOM 127 O PRO A 919 6.502 0.762 -6.186 1.00 0.00 O ATOM 128 CB PRO A 919 9.466 -0.473 -5.460 1.00 0.00 C ATOM 129 CG PRO A 919 9.987 -0.566 -4.067 1.00 0.00 C ATOM 130 CD PRO A 919 10.389 0.831 -3.682 1.00 0.00 C ATOM 0 HA PRO A 919 8.882 1.374 -6.521 1.00 0.00 H new ATOM 0 HB2 PRO A 919 8.747 -1.266 -5.668 1.00 0.00 H new ATOM 0 HB3 PRO A 919 10.269 -0.571 -6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 919 9.225 -0.954 -3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 919 10.837 -1.246 -4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 919 10.235 1.015 -2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 919 11.443 1.017 -3.889 1.00 0.00 H new ATOM 138 N CYS A 920 6.957 0.759 -3.982 1.00 0.00 N ATOM 139 CA CYS A 920 5.558 0.659 -3.582 1.00 0.00 C ATOM 140 C CYS A 920 5.202 1.743 -2.570 1.00 0.00 C ATOM 141 O CYS A 920 5.806 1.832 -1.500 1.00 0.00 O ATOM 142 CB CYS A 920 5.273 -0.722 -2.989 1.00 0.00 C ATOM 143 SG CYS A 920 5.693 -2.097 -4.085 1.00 0.00 S ATOM 0 H CYS A 920 7.617 0.792 -3.205 1.00 0.00 H new ATOM 0 HA CYS A 920 4.942 0.800 -4.470 1.00 0.00 H new ATOM 0 HB2 CYS A 920 5.832 -0.829 -2.059 1.00 0.00 H new ATOM 0 HB3 CYS A 920 4.215 -0.785 -2.734 1.00 0.00 H new ATOM 0 HG CYS A 920 5.418 -3.222 -3.495 1.00 0.00 H new ATOM 149 N LYS A 921 4.219 2.568 -2.915 1.00 0.00 N ATOM 150 CA LYS A 921 3.783 3.648 -2.038 1.00 0.00 C ATOM 151 C LYS A 921 2.267 3.631 -1.868 1.00 0.00 C ATOM 152 O LYS A 921 1.522 3.786 -2.837 1.00 0.00 O ATOM 153 CB LYS A 921 4.229 5.000 -2.599 1.00 0.00 C ATOM 154 CG LYS A 921 4.290 6.101 -1.555 1.00 0.00 C ATOM 155 CD LYS A 921 4.564 7.455 -2.188 1.00 0.00 C ATOM 156 CE LYS A 921 5.297 8.381 -1.229 1.00 0.00 C ATOM 157 NZ LYS A 921 4.401 8.884 -0.151 1.00 0.00 N ATOM 0 H LYS A 921 3.709 2.509 -3.796 1.00 0.00 H new ATOM 0 HA LYS A 921 4.243 3.498 -1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 921 5.213 4.888 -3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 921 3.543 5.300 -3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 921 3.348 6.138 -1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 921 5.071 5.873 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 921 5.158 7.322 -3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 921 3.623 7.914 -2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 921 6.139 7.850 -0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 921 5.709 9.225 -1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 921 4.937 9.511 0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 921 3.611 9.412 -0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 921 4.028 8.080 0.393 1.00 0.00 H new ATOM 171 N CYS A 922 1.817 3.444 -0.632 1.00 0.00 N ATOM 172 CA CYS A 922 0.390 3.409 -0.335 1.00 0.00 C ATOM 173 C CYS A 922 -0.207 4.813 -0.365 1.00 0.00 C ATOM 174 O CYS A 922 0.306 5.733 0.273 1.00 0.00 O ATOM 175 CB CYS A 922 0.149 2.770 1.034 1.00 0.00 C ATOM 176 SG CYS A 922 -1.600 2.404 1.387 1.00 0.00 S ATOM 0 H CYS A 922 2.420 3.314 0.180 1.00 0.00 H new ATOM 0 HA CYS A 922 -0.101 2.808 -1.101 1.00 0.00 H new ATOM 0 HB2 CYS A 922 0.722 1.845 1.097 1.00 0.00 H new ATOM 0 HB3 CYS A 922 0.533 3.436 1.807 1.00 0.00 H new ATOM 181 N THR A 923 -1.296 4.971 -1.112 1.00 0.00 N ATOM 182 CA THR A 923 -1.963 6.261 -1.227 1.00 0.00 C ATOM 183 C THR A 923 -3.057 6.410 -0.176 1.00 0.00 C ATOM 184 O THR A 923 -3.407 7.524 0.215 1.00 0.00 O ATOM 185 CB THR A 923 -2.581 6.452 -2.625 1.00 0.00 C ATOM 186 OG1 THR A 923 -3.081 7.786 -2.762 1.00 0.00 O ATOM 187 CG2 THR A 923 -3.707 5.456 -2.860 1.00 0.00 C ATOM 0 H THR A 923 -1.734 4.221 -1.646 1.00 0.00 H new ATOM 0 HA THR A 923 -1.202 7.025 -1.067 1.00 0.00 H new ATOM 0 HB THR A 923 -1.803 6.278 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 923 -3.471 7.899 -3.654 1.00 0.00 H new ATOM 0 HG21 THR A 923 -4.128 5.610 -3.854 1.00 0.00 H new ATOM 0 HG22 THR A 923 -3.317 4.441 -2.785 1.00 0.00 H new ATOM 0 HG23 THR A 923 -4.484 5.602 -2.110 1.00 0.00 H new ATOM 195 N GLU A 924 -3.594 5.282 0.278 1.00 0.00 N ATOM 196 CA GLU A 924 -4.649 5.289 1.284 1.00 0.00 C ATOM 197 C GLU A 924 -4.234 6.109 2.502 1.00 0.00 C ATOM 198 O GLU A 924 -5.027 6.877 3.047 1.00 0.00 O ATOM 199 CB GLU A 924 -4.987 3.859 1.710 1.00 0.00 C ATOM 200 CG GLU A 924 -5.306 2.936 0.546 1.00 0.00 C ATOM 201 CD GLU A 924 -6.418 3.471 -0.335 1.00 0.00 C ATOM 202 OE1 GLU A 924 -7.599 3.207 -0.028 1.00 0.00 O ATOM 203 OE2 GLU A 924 -6.106 4.155 -1.333 1.00 0.00 O ATOM 0 H GLU A 924 -3.316 4.352 -0.035 1.00 0.00 H new ATOM 0 HA GLU A 924 -5.534 5.748 0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 924 -4.147 3.447 2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 924 -5.840 3.883 2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 924 -4.408 2.792 -0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 924 -5.592 1.957 0.931 1.00 0.00 H new ATOM 210 N CYS A 925 -2.985 5.941 2.923 1.00 0.00 N ATOM 211 CA CYS A 925 -2.463 6.664 4.077 1.00 0.00 C ATOM 212 C CYS A 925 -1.291 7.555 3.675 1.00 0.00 C ATOM 213 O CYS A 925 -1.068 8.610 4.268 1.00 0.00 O ATOM 214 CB CYS A 925 -2.022 5.682 5.164 1.00 0.00 C ATOM 215 SG CYS A 925 -0.891 4.380 4.575 1.00 0.00 S ATOM 0 H CYS A 925 -2.315 5.310 2.482 1.00 0.00 H new ATOM 0 HA CYS A 925 -3.260 7.296 4.470 1.00 0.00 H new ATOM 0 HB2 CYS A 925 -1.534 6.238 5.964 1.00 0.00 H new ATOM 0 HB3 CYS A 925 -2.906 5.213 5.595 1.00 0.00 H new ATOM 220 N GLY A 926 -0.545 7.122 2.663 1.00 0.00 N ATOM 221 CA GLY A 926 0.594 7.892 2.199 1.00 0.00 C ATOM 222 C GLY A 926 1.910 7.354 2.725 1.00 0.00 C ATOM 223 O GLY A 926 2.909 8.072 2.772 1.00 0.00 O ATOM 0 H GLY A 926 -0.709 6.252 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 926 0.612 7.887 1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 926 0.479 8.930 2.511 1.00 0.00 H new ATOM 227 N LYS A 927 1.913 6.086 3.123 1.00 0.00 N ATOM 228 CA LYS A 927 3.115 5.451 3.649 1.00 0.00 C ATOM 229 C LYS A 927 3.922 4.803 2.529 1.00 0.00 C ATOM 230 O LYS A 927 3.358 4.274 1.571 1.00 0.00 O ATOM 231 CB LYS A 927 2.745 4.401 4.699 1.00 0.00 C ATOM 232 CG LYS A 927 3.892 4.035 5.624 1.00 0.00 C ATOM 233 CD LYS A 927 4.257 5.189 6.543 1.00 0.00 C ATOM 234 CE LYS A 927 5.285 4.770 7.582 1.00 0.00 C ATOM 235 NZ LYS A 927 4.678 3.942 8.661 1.00 0.00 N ATOM 0 H LYS A 927 1.095 5.478 3.091 1.00 0.00 H new ATOM 0 HA LYS A 927 3.728 6.222 4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 927 1.913 4.774 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 927 2.396 3.501 4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 927 3.616 3.166 6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 927 4.762 3.751 5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 927 4.652 6.015 5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 927 3.360 5.555 7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 927 6.082 4.207 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 927 5.742 5.658 8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 927 5.391 3.748 9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 927 3.879 4.455 9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 927 4.340 3.044 8.261 1.00 0.00 H new ATOM 249 N ALA A 928 5.244 4.846 2.656 1.00 0.00 N ATOM 250 CA ALA A 928 6.128 4.260 1.656 1.00 0.00 C ATOM 251 C ALA A 928 6.619 2.885 2.096 1.00 0.00 C ATOM 252 O ALA A 928 6.928 2.671 3.268 1.00 0.00 O ATOM 253 CB ALA A 928 7.308 5.183 1.388 1.00 0.00 C ATOM 0 H ALA A 928 5.727 5.281 3.442 1.00 0.00 H new ATOM 0 HA ALA A 928 5.561 4.137 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 928 7.960 4.732 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 928 6.943 6.143 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 928 7.867 5.336 2.311 1.00 0.00 H new ATOM 259 N PHE A 929 6.686 1.955 1.149 1.00 0.00 N ATOM 260 CA PHE A 929 7.138 0.599 1.440 1.00 0.00 C ATOM 261 C PHE A 929 8.121 0.114 0.379 1.00 0.00 C ATOM 262 O PHE A 929 7.827 0.146 -0.817 1.00 0.00 O ATOM 263 CB PHE A 929 5.943 -0.353 1.517 1.00 0.00 C ATOM 264 CG PHE A 929 5.130 -0.195 2.770 1.00 0.00 C ATOM 265 CD1 PHE A 929 5.503 -0.837 3.939 1.00 0.00 C ATOM 266 CD2 PHE A 929 3.992 0.596 2.778 1.00 0.00 C ATOM 267 CE1 PHE A 929 4.757 -0.693 5.094 1.00 0.00 C ATOM 268 CE2 PHE A 929 3.243 0.744 3.930 1.00 0.00 C ATOM 269 CZ PHE A 929 3.625 0.098 5.089 1.00 0.00 C ATOM 0 H PHE A 929 6.433 2.115 0.174 1.00 0.00 H new ATOM 0 HA PHE A 929 7.648 0.611 2.404 1.00 0.00 H new ATOM 0 HB2 PHE A 929 5.300 -0.187 0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 929 6.302 -1.380 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 929 6.387 -1.457 3.948 1.00 0.00 H new ATOM 0 HD2 PHE A 929 3.687 1.102 1.874 1.00 0.00 H new ATOM 0 HE1 PHE A 929 5.059 -1.199 5.999 1.00 0.00 H new ATOM 0 HE2 PHE A 929 2.359 1.365 3.924 1.00 0.00 H new ATOM 0 HZ PHE A 929 3.040 0.211 5.990 1.00 0.00 H new ATOM 279 N CYS A 930 9.290 -0.333 0.824 1.00 0.00 N ATOM 280 CA CYS A 930 10.318 -0.824 -0.086 1.00 0.00 C ATOM 281 C CYS A 930 10.091 -2.294 -0.422 1.00 0.00 C ATOM 282 O CYS A 930 10.476 -2.763 -1.493 1.00 0.00 O ATOM 283 CB CYS A 930 11.705 -0.638 0.530 1.00 0.00 C ATOM 284 SG CYS A 930 12.029 1.038 1.127 1.00 0.00 S ATOM 0 H CYS A 930 9.549 -0.365 1.810 1.00 0.00 H new ATOM 0 HA CYS A 930 10.257 -0.246 -1.008 1.00 0.00 H new ATOM 0 HB2 CYS A 930 11.819 -1.336 1.359 1.00 0.00 H new ATOM 0 HB3 CYS A 930 12.459 -0.900 -0.213 1.00 0.00 H new ATOM 0 HG CYS A 930 12.147 1.844 0.114 1.00 0.00 H new ATOM 290 N TRP A 931 9.465 -3.016 0.501 1.00 0.00 N ATOM 291 CA TRP A 931 9.188 -4.435 0.303 1.00 0.00 C ATOM 292 C TRP A 931 7.771 -4.645 -0.218 1.00 0.00 C ATOM 293 O TRP A 931 6.868 -3.861 0.075 1.00 0.00 O ATOM 294 CB TRP A 931 9.382 -5.200 1.613 1.00 0.00 C ATOM 295 CG TRP A 931 10.818 -5.313 2.029 1.00 0.00 C ATOM 296 CD1 TRP A 931 11.609 -4.314 2.520 1.00 0.00 C ATOM 297 CD2 TRP A 931 11.632 -6.489 1.987 1.00 0.00 C ATOM 298 NE1 TRP A 931 12.867 -4.799 2.787 1.00 0.00 N ATOM 299 CE2 TRP A 931 12.907 -6.131 2.469 1.00 0.00 C ATOM 300 CE3 TRP A 931 11.409 -7.811 1.592 1.00 0.00 C ATOM 301 CZ2 TRP A 931 13.951 -7.047 2.564 1.00 0.00 C ATOM 302 CZ3 TRP A 931 12.447 -8.719 1.687 1.00 0.00 C ATOM 303 CH2 TRP A 931 13.704 -8.334 2.170 1.00 0.00 C ATOM 0 H TRP A 931 9.140 -2.643 1.393 1.00 0.00 H new ATOM 0 HA TRP A 931 9.888 -4.817 -0.440 1.00 0.00 H new ATOM 0 HB2 TRP A 931 8.821 -4.701 2.403 1.00 0.00 H new ATOM 0 HB3 TRP A 931 8.962 -6.200 1.507 1.00 0.00 H new ATOM 0 HD1 TRP A 931 11.293 -3.293 2.676 1.00 0.00 H new ATOM 0 HE1 TRP A 931 13.645 -4.255 3.161 1.00 0.00 H new ATOM 0 HE3 TRP A 931 10.443 -8.118 1.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 931 14.921 -6.752 2.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 931 12.286 -9.743 1.384 1.00 0.00 H new ATOM 0 HH2 TRP A 931 14.494 -9.068 2.233 1.00 0.00 H new ATOM 314 N LYS A 932 7.582 -5.708 -0.992 1.00 0.00 N ATOM 315 CA LYS A 932 6.274 -6.023 -1.553 1.00 0.00 C ATOM 316 C LYS A 932 5.392 -6.720 -0.522 1.00 0.00 C ATOM 317 O LYS A 932 4.243 -6.333 -0.309 1.00 0.00 O ATOM 318 CB LYS A 932 6.427 -6.910 -2.791 1.00 0.00 C ATOM 319 CG LYS A 932 6.596 -6.128 -4.082 1.00 0.00 C ATOM 320 CD LYS A 932 5.254 -5.812 -4.722 1.00 0.00 C ATOM 321 CE LYS A 932 4.741 -6.980 -5.549 1.00 0.00 C ATOM 322 NZ LYS A 932 3.532 -6.614 -6.337 1.00 0.00 N ATOM 0 H LYS A 932 8.319 -6.366 -1.245 1.00 0.00 H new ATOM 0 HA LYS A 932 5.796 -5.087 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 932 7.289 -7.563 -2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 932 5.551 -7.553 -2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 932 7.131 -5.200 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 932 7.206 -6.702 -4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 932 4.528 -5.568 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 932 5.351 -4.931 -5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 932 5.526 -7.319 -6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 932 4.506 -7.816 -4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 932 3.214 -7.437 -6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 932 2.774 -6.315 -5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 932 3.763 -5.834 -6.984 1.00 0.00 H new ATOM 336 N SER A 933 5.939 -7.750 0.118 1.00 0.00 N ATOM 337 CA SER A 933 5.201 -8.502 1.126 1.00 0.00 C ATOM 338 C SER A 933 4.695 -7.579 2.231 1.00 0.00 C ATOM 339 O SER A 933 3.693 -7.867 2.884 1.00 0.00 O ATOM 340 CB SER A 933 6.086 -9.596 1.725 1.00 0.00 C ATOM 341 OG SER A 933 6.821 -9.108 2.834 1.00 0.00 O ATOM 0 H SER A 933 6.890 -8.082 -0.044 1.00 0.00 H new ATOM 0 HA SER A 933 4.341 -8.965 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 933 5.468 -10.438 2.037 1.00 0.00 H new ATOM 0 HB3 SER A 933 6.773 -9.969 0.965 1.00 0.00 H new ATOM 0 HG SER A 933 7.377 -9.827 3.200 1.00 0.00 H new ATOM 347 N GLN A 934 5.397 -6.469 2.433 1.00 0.00 N ATOM 348 CA GLN A 934 5.021 -5.503 3.459 1.00 0.00 C ATOM 349 C GLN A 934 3.759 -4.746 3.057 1.00 0.00 C ATOM 350 O GLN A 934 3.001 -4.284 3.910 1.00 0.00 O ATOM 351 CB GLN A 934 6.164 -4.518 3.706 1.00 0.00 C ATOM 352 CG GLN A 934 7.263 -5.073 4.598 1.00 0.00 C ATOM 353 CD GLN A 934 8.138 -3.987 5.192 1.00 0.00 C ATOM 354 OE1 GLN A 934 8.400 -2.967 4.554 1.00 0.00 O ATOM 355 NE2 GLN A 934 8.594 -4.200 6.421 1.00 0.00 N ATOM 0 H GLN A 934 6.229 -6.216 1.900 1.00 0.00 H new ATOM 0 HA GLN A 934 4.817 -6.050 4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 934 6.596 -4.228 2.748 1.00 0.00 H new ATOM 0 HB3 GLN A 934 5.761 -3.613 4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 934 6.813 -5.653 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 934 7.883 -5.758 4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 934 8.352 -5.060 6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 934 9.187 -3.504 6.873 1.00 0.00 H new ATOM 364 N LEU A 935 3.541 -4.621 1.752 1.00 0.00 N ATOM 365 CA LEU A 935 2.371 -3.919 1.236 1.00 0.00 C ATOM 366 C LEU A 935 1.159 -4.844 1.186 1.00 0.00 C ATOM 367 O LEU A 935 0.022 -4.404 1.361 1.00 0.00 O ATOM 368 CB LEU A 935 2.660 -3.362 -0.159 1.00 0.00 C ATOM 369 CG LEU A 935 1.590 -2.444 -0.750 1.00 0.00 C ATOM 370 CD1 LEU A 935 1.721 -1.038 -0.186 1.00 0.00 C ATOM 371 CD2 LEU A 935 1.685 -2.422 -2.269 1.00 0.00 C ATOM 0 H LEU A 935 4.159 -4.996 1.033 1.00 0.00 H new ATOM 0 HA LEU A 935 2.147 -3.093 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 935 3.601 -2.813 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 935 2.807 -4.200 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 935 0.611 -2.835 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 935 0.951 -0.399 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 935 1.602 -1.068 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 935 2.705 -0.638 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 935 0.916 -1.763 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 935 2.668 -2.057 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 935 1.540 -3.430 -2.657 1.00 0.00 H new ATOM 383 N ILE A 936 1.410 -6.127 0.947 1.00 0.00 N ATOM 384 CA ILE A 936 0.340 -7.114 0.877 1.00 0.00 C ATOM 385 C ILE A 936 -0.556 -7.042 2.109 1.00 0.00 C ATOM 386 O ILE A 936 -1.752 -6.773 2.005 1.00 0.00 O ATOM 387 CB ILE A 936 0.899 -8.542 0.745 1.00 0.00 C ATOM 388 CG1 ILE A 936 1.778 -8.656 -0.502 1.00 0.00 C ATOM 389 CG2 ILE A 936 -0.237 -9.553 0.694 1.00 0.00 C ATOM 390 CD1 ILE A 936 2.381 -10.030 -0.693 1.00 0.00 C ATOM 0 H ILE A 936 2.345 -6.507 0.799 1.00 0.00 H new ATOM 0 HA ILE A 936 -0.248 -6.880 -0.011 1.00 0.00 H new ATOM 0 HB ILE A 936 1.513 -8.758 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 936 1.183 -8.404 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 936 2.581 -7.921 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 936 0.174 -10.558 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 936 -0.826 -9.485 1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 936 -0.875 -9.341 -0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 936 2.991 -10.037 -1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 936 3.003 -10.277 0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 936 1.584 -10.767 -0.788 1.00 0.00 H new ATOM 402 N MET A 937 0.033 -7.283 3.276 1.00 0.00 N ATOM 403 CA MET A 937 -0.711 -7.243 4.530 1.00 0.00 C ATOM 404 C MET A 937 -1.199 -5.829 4.828 1.00 0.00 C ATOM 405 O MET A 937 -2.197 -5.639 5.523 1.00 0.00 O ATOM 406 CB MET A 937 0.160 -7.747 5.682 1.00 0.00 C ATOM 407 CG MET A 937 0.094 -9.253 5.880 1.00 0.00 C ATOM 408 SD MET A 937 0.860 -10.166 4.527 1.00 0.00 S ATOM 409 CE MET A 937 -0.299 -11.518 4.332 1.00 0.00 C ATOM 0 H MET A 937 1.023 -7.508 3.379 1.00 0.00 H new ATOM 0 HA MET A 937 -1.579 -7.895 4.429 1.00 0.00 H new ATOM 0 HB2 MET A 937 1.195 -7.458 5.498 1.00 0.00 H new ATOM 0 HB3 MET A 937 -0.149 -7.254 6.603 1.00 0.00 H new ATOM 0 HG2 MET A 937 0.589 -9.515 6.815 1.00 0.00 H new ATOM 0 HG3 MET A 937 -0.948 -9.558 5.975 1.00 0.00 H new ATOM 0 HE1 MET A 937 0.038 -12.173 3.529 1.00 0.00 H new ATOM 0 HE2 MET A 937 -0.357 -12.084 5.262 1.00 0.00 H new ATOM 0 HE3 MET A 937 -1.284 -11.120 4.087 1.00 0.00 H new ATOM 419 N HIS A 938 -0.488 -4.838 4.297 1.00 0.00 N ATOM 420 CA HIS A 938 -0.850 -3.441 4.506 1.00 0.00 C ATOM 421 C HIS A 938 -2.253 -3.157 3.978 1.00 0.00 C ATOM 422 O HIS A 938 -3.002 -2.379 4.568 1.00 0.00 O ATOM 423 CB HIS A 938 0.162 -2.522 3.820 1.00 0.00 C ATOM 424 CG HIS A 938 0.049 -1.089 4.238 1.00 0.00 C ATOM 425 ND1 HIS A 938 0.561 -0.608 5.425 1.00 0.00 N ATOM 426 CD2 HIS A 938 -0.520 -0.028 3.618 1.00 0.00 C ATOM 427 CE1 HIS A 938 0.310 0.685 5.518 1.00 0.00 C ATOM 428 NE2 HIS A 938 -0.344 1.062 4.435 1.00 0.00 N ATOM 0 H HIS A 938 0.341 -4.977 3.720 1.00 0.00 H new ATOM 0 HA HIS A 938 -0.839 -3.245 5.578 1.00 0.00 H new ATOM 0 HB2 HIS A 938 1.169 -2.877 4.038 1.00 0.00 H new ATOM 0 HB3 HIS A 938 0.027 -2.589 2.740 1.00 0.00 H new ATOM 0 HD1 HIS A 938 1.056 -1.164 6.122 1.00 0.00 H new ATOM 0 HD2 HIS A 938 -1.019 -0.037 2.660 1.00 0.00 H new ATOM 0 HE1 HIS A 938 0.592 1.326 6.341 1.00 0.00 H new ATOM 436 N GLN A 939 -2.599 -3.793 2.863 1.00 0.00 N ATOM 437 CA GLN A 939 -3.912 -3.607 2.255 1.00 0.00 C ATOM 438 C GLN A 939 -5.001 -4.255 3.104 1.00 0.00 C ATOM 439 O GLN A 939 -6.160 -3.841 3.065 1.00 0.00 O ATOM 440 CB GLN A 939 -3.931 -4.196 0.844 1.00 0.00 C ATOM 441 CG GLN A 939 -2.983 -3.499 -0.119 1.00 0.00 C ATOM 442 CD GLN A 939 -3.587 -2.250 -0.732 1.00 0.00 C ATOM 443 OE1 GLN A 939 -3.576 -1.179 -0.125 1.00 0.00 O ATOM 444 NE2 GLN A 939 -4.120 -2.382 -1.941 1.00 0.00 N ATOM 0 H GLN A 939 -1.990 -4.440 2.363 1.00 0.00 H new ATOM 0 HA GLN A 939 -4.110 -2.537 2.197 1.00 0.00 H new ATOM 0 HB2 GLN A 939 -3.670 -5.253 0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 939 -4.945 -4.138 0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 939 -2.066 -3.234 0.408 1.00 0.00 H new ATOM 0 HG3 GLN A 939 -2.705 -4.191 -0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 939 -4.107 -3.289 -2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 939 -4.542 -1.577 -2.403 1.00 0.00 H new ATOM 453 N ARG A 940 -4.622 -5.273 3.869 1.00 0.00 N ATOM 454 CA ARG A 940 -5.567 -5.978 4.726 1.00 0.00 C ATOM 455 C ARG A 940 -6.245 -5.015 5.696 1.00 0.00 C ATOM 456 O ARG A 940 -7.472 -4.903 5.721 1.00 0.00 O ATOM 457 CB ARG A 940 -4.854 -7.085 5.505 1.00 0.00 C ATOM 458 CG ARG A 940 -5.802 -8.057 6.187 1.00 0.00 C ATOM 459 CD ARG A 940 -6.258 -7.534 7.540 1.00 0.00 C ATOM 460 NE ARG A 940 -6.832 -8.590 8.371 1.00 0.00 N ATOM 461 CZ ARG A 940 -7.559 -8.356 9.458 1.00 0.00 C ATOM 462 NH1 ARG A 940 -7.800 -7.111 9.843 1.00 0.00 N ATOM 463 NH2 ARG A 940 -8.047 -9.370 10.161 1.00 0.00 N ATOM 0 H ARG A 940 -3.667 -5.628 3.913 1.00 0.00 H new ATOM 0 HA ARG A 940 -6.332 -6.425 4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -4.208 -7.639 4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -4.209 -6.631 6.258 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -6.670 -8.227 5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -5.307 -9.020 6.316 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -5.411 -7.085 8.059 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -6.997 -6.746 7.394 1.00 0.00 H new ATOM 0 HE ARG A 940 -6.665 -9.560 8.102 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -7.427 -6.329 9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -8.359 -6.934 10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -7.864 -10.329 9.867 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -8.605 -9.190 10.996 1.00 0.00 H new ATOM 477 N THR A 941 -5.440 -4.322 6.494 1.00 0.00 N ATOM 478 CA THR A 941 -5.961 -3.370 7.467 1.00 0.00 C ATOM 479 C THR A 941 -6.768 -2.272 6.783 1.00 0.00 C ATOM 480 O THR A 941 -7.647 -1.662 7.393 1.00 0.00 O ATOM 481 CB THR A 941 -4.827 -2.725 8.285 1.00 0.00 C ATOM 482 OG1 THR A 941 -5.372 -1.794 9.228 1.00 0.00 O ATOM 483 CG2 THR A 941 -3.840 -2.012 7.374 1.00 0.00 C ATOM 0 H THR A 941 -4.423 -4.402 6.486 1.00 0.00 H new ATOM 0 HA THR A 941 -6.611 -3.929 8.140 1.00 0.00 H new ATOM 0 HB THR A 941 -4.299 -3.515 8.818 1.00 0.00 H new ATOM 0 HG1 THR A 941 -4.645 -1.389 9.745 1.00 0.00 H new ATOM 0 HG21 THR A 941 -3.048 -1.564 7.975 1.00 0.00 H new ATOM 0 HG22 THR A 941 -3.406 -2.728 6.677 1.00 0.00 H new ATOM 0 HG23 THR A 941 -4.358 -1.231 6.817 1.00 0.00 H new ATOM 491 N HIS A 942 -6.464 -2.024 5.513 1.00 0.00 N ATOM 492 CA HIS A 942 -7.163 -0.999 4.746 1.00 0.00 C ATOM 493 C HIS A 942 -8.488 -1.531 4.210 1.00 0.00 C ATOM 494 O HIS A 942 -8.590 -1.912 3.043 1.00 0.00 O ATOM 495 CB HIS A 942 -6.289 -0.514 3.588 1.00 0.00 C ATOM 496 CG HIS A 942 -5.234 0.465 4.003 1.00 0.00 C ATOM 497 ND1 HIS A 942 -5.406 1.364 5.034 1.00 0.00 N ATOM 498 CD2 HIS A 942 -3.988 0.681 3.521 1.00 0.00 C ATOM 499 CE1 HIS A 942 -4.312 2.093 5.167 1.00 0.00 C ATOM 500 NE2 HIS A 942 -3.436 1.697 4.261 1.00 0.00 N ATOM 0 H HIS A 942 -5.739 -2.518 4.994 1.00 0.00 H new ATOM 0 HA HIS A 942 -7.370 -0.161 5.411 1.00 0.00 H new ATOM 0 HB2 HIS A 942 -5.811 -1.374 3.120 1.00 0.00 H new ATOM 0 HB3 HIS A 942 -6.925 -0.052 2.833 1.00 0.00 H new ATOM 0 HD1 HIS A 942 -6.247 1.453 5.605 1.00 0.00 H new ATOM 0 HD2 HIS A 942 -3.516 0.153 2.706 1.00 0.00 H new ATOM 0 HE1 HIS A 942 -4.160 2.878 5.893 1.00 0.00 H new ATOM 508 N VAL A 943 -9.502 -1.554 5.069 1.00 0.00 N ATOM 509 CA VAL A 943 -10.822 -2.038 4.682 1.00 0.00 C ATOM 510 C VAL A 943 -11.638 -0.937 4.016 1.00 0.00 C ATOM 511 O VAL A 943 -11.415 0.249 4.259 1.00 0.00 O ATOM 512 CB VAL A 943 -11.601 -2.576 5.897 1.00 0.00 C ATOM 513 CG1 VAL A 943 -10.907 -3.798 6.479 1.00 0.00 C ATOM 514 CG2 VAL A 943 -11.758 -1.490 6.951 1.00 0.00 C ATOM 0 H VAL A 943 -9.435 -1.243 6.038 1.00 0.00 H new ATOM 0 HA VAL A 943 -10.665 -2.850 3.972 1.00 0.00 H new ATOM 0 HB VAL A 943 -12.595 -2.877 5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 943 -11.472 -4.164 7.336 1.00 0.00 H new ATOM 0 HG12 VAL A 943 -10.851 -4.580 5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 943 -9.900 -3.528 6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 943 -12.311 -1.887 7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 943 -10.774 -1.157 7.280 1.00 0.00 H new ATOM 0 HG23 VAL A 943 -12.302 -0.647 6.526 1.00 0.00 H new ATOM 524 N ASP A 944 -12.584 -1.337 3.174 1.00 0.00 N ATOM 525 CA ASP A 944 -13.436 -0.383 2.472 1.00 0.00 C ATOM 526 C ASP A 944 -14.619 0.031 3.342 1.00 0.00 C ATOM 527 O ASP A 944 -15.253 -0.806 3.985 1.00 0.00 O ATOM 528 CB ASP A 944 -13.939 -0.986 1.159 1.00 0.00 C ATOM 529 CG ASP A 944 -14.626 0.039 0.278 1.00 0.00 C ATOM 530 OD1 ASP A 944 -14.116 1.174 0.179 1.00 0.00 O ATOM 531 OD2 ASP A 944 -15.675 -0.295 -0.312 1.00 0.00 O ATOM 0 H ASP A 944 -12.781 -2.315 2.961 1.00 0.00 H new ATOM 0 HA ASP A 944 -12.842 0.504 2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 944 -13.100 -1.422 0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 944 -14.634 -1.797 1.377 1.00 0.00 H new ATOM 536 N ASP A 945 -14.910 1.327 3.357 1.00 0.00 N ATOM 537 CA ASP A 945 -16.017 1.853 4.148 1.00 0.00 C ATOM 538 C ASP A 945 -17.200 2.214 3.255 1.00 0.00 C ATOM 539 O ASP A 945 -17.084 2.229 2.029 1.00 0.00 O ATOM 540 CB ASP A 945 -15.567 3.081 4.940 1.00 0.00 C ATOM 541 CG ASP A 945 -14.750 4.044 4.102 1.00 0.00 C ATOM 542 OD1 ASP A 945 -13.568 3.741 3.832 1.00 0.00 O ATOM 543 OD2 ASP A 945 -15.291 5.100 3.714 1.00 0.00 O ATOM 0 H ASP A 945 -14.395 2.033 2.831 1.00 0.00 H new ATOM 0 HA ASP A 945 -16.334 1.077 4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -16.443 3.598 5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -14.977 2.760 5.798 1.00 0.00 H new ATOM 548 N LYS A 946 -18.338 2.502 3.877 1.00 0.00 N ATOM 549 CA LYS A 946 -19.543 2.863 3.140 1.00 0.00 C ATOM 550 C LYS A 946 -19.414 4.258 2.536 1.00 0.00 C ATOM 551 O LYS A 946 -19.227 5.241 3.254 1.00 0.00 O ATOM 552 CB LYS A 946 -20.765 2.804 4.059 1.00 0.00 C ATOM 553 CG LYS A 946 -22.079 3.055 3.341 1.00 0.00 C ATOM 554 CD LYS A 946 -22.649 1.773 2.757 1.00 0.00 C ATOM 555 CE LYS A 946 -24.106 1.942 2.356 1.00 0.00 C ATOM 556 NZ LYS A 946 -25.020 1.837 3.527 1.00 0.00 N ATOM 0 H LYS A 946 -18.451 2.492 4.891 1.00 0.00 H new ATOM 0 HA LYS A 946 -19.671 2.146 2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 946 -20.803 1.825 4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 946 -20.648 3.542 4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 946 -22.797 3.490 4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 946 -21.926 3.782 2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 946 -22.063 1.477 1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 946 -22.563 0.969 3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 946 -24.240 2.912 1.876 1.00 0.00 H new ATOM 0 HE3 LYS A 946 -24.370 1.183 1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 946 -26.004 1.958 3.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 946 -24.911 0.902 3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 946 -24.785 2.577 4.218 1.00 0.00 H new ATOM 570 N HIS A 947 -19.518 4.338 1.213 1.00 0.00 N ATOM 571 CA HIS A 947 -19.415 5.614 0.514 1.00 0.00 C ATOM 572 C HIS A 947 -19.920 5.489 -0.920 1.00 0.00 C ATOM 573 O HIS A 947 -19.469 4.627 -1.675 1.00 0.00 O ATOM 574 CB HIS A 947 -17.968 6.105 0.516 1.00 0.00 C ATOM 575 CG HIS A 947 -17.787 7.439 -0.141 1.00 0.00 C ATOM 576 ND1 HIS A 947 -18.276 8.613 0.392 1.00 0.00 N ATOM 577 CD2 HIS A 947 -17.166 7.781 -1.294 1.00 0.00 C ATOM 578 CE1 HIS A 947 -17.964 9.619 -0.405 1.00 0.00 C ATOM 579 NE2 HIS A 947 -17.290 9.142 -1.435 1.00 0.00 N ATOM 0 H HIS A 947 -19.673 3.535 0.604 1.00 0.00 H new ATOM 0 HA HIS A 947 -20.037 6.339 1.038 1.00 0.00 H new ATOM 0 HB2 HIS A 947 -17.615 6.165 1.545 1.00 0.00 H new ATOM 0 HB3 HIS A 947 -17.343 5.371 0.007 1.00 0.00 H new ATOM 0 HD2 HIS A 947 -16.666 7.109 -1.976 1.00 0.00 H new ATOM 0 HE1 HIS A 947 -18.217 10.656 -0.242 1.00 0.00 H new ATOM 0 HE2 HIS A 947 -16.921 9.694 -2.209 1.00 0.00 H new ATOM 587 N SER A 948 -20.859 6.354 -1.289 1.00 0.00 N ATOM 588 CA SER A 948 -21.429 6.338 -2.632 1.00 0.00 C ATOM 589 C SER A 948 -20.572 7.153 -3.596 1.00 0.00 C ATOM 590 O SER A 948 -19.862 8.071 -3.188 1.00 0.00 O ATOM 591 CB SER A 948 -22.856 6.889 -2.610 1.00 0.00 C ATOM 592 OG SER A 948 -22.863 8.275 -2.315 1.00 0.00 O ATOM 0 H SER A 948 -21.242 7.075 -0.677 1.00 0.00 H new ATOM 0 HA SER A 948 -21.451 5.305 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A 948 -23.330 6.717 -3.576 1.00 0.00 H new ATOM 0 HB3 SER A 948 -23.445 6.353 -1.866 1.00 0.00 H new ATOM 0 HG SER A 948 -23.786 8.603 -2.309 1.00 0.00 H new ATOM 598 N GLY A 949 -20.645 6.809 -4.878 1.00 0.00 N ATOM 599 CA GLY A 949 -19.871 7.517 -5.881 1.00 0.00 C ATOM 600 C GLY A 949 -18.379 7.435 -5.627 1.00 0.00 C ATOM 601 O GLY A 949 -17.749 8.397 -5.188 1.00 0.00 O ATOM 0 H GLY A 949 -21.226 6.053 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 949 -20.092 7.103 -6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 949 -20.176 8.563 -5.899 1.00 0.00 H new ATOM 605 N PRO A 950 -17.792 6.262 -5.904 1.00 0.00 N ATOM 606 CA PRO A 950 -16.357 6.029 -5.710 1.00 0.00 C ATOM 607 C PRO A 950 -15.504 6.805 -6.708 1.00 0.00 C ATOM 608 O PRO A 950 -14.319 7.043 -6.472 1.00 0.00 O ATOM 609 CB PRO A 950 -16.208 4.523 -5.936 1.00 0.00 C ATOM 610 CG PRO A 950 -17.353 4.157 -6.816 1.00 0.00 C ATOM 611 CD PRO A 950 -18.482 5.072 -6.430 1.00 0.00 C ATOM 0 HA PRO A 950 -16.019 6.361 -4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 950 -15.254 4.286 -6.408 1.00 0.00 H new ATOM 0 HB3 PRO A 950 -16.242 3.976 -4.994 1.00 0.00 H new ATOM 0 HG2 PRO A 950 -17.092 4.281 -7.867 1.00 0.00 H new ATOM 0 HG3 PRO A 950 -17.633 3.113 -6.678 1.00 0.00 H new ATOM 0 HD2 PRO A 950 -19.111 5.318 -7.286 1.00 0.00 H new ATOM 0 HD3 PRO A 950 -19.129 4.618 -5.679 1.00 0.00 H new ATOM 619 N SER A 951 -16.113 7.196 -7.822 1.00 0.00 N ATOM 620 CA SER A 951 -15.408 7.942 -8.858 1.00 0.00 C ATOM 621 C SER A 951 -14.898 9.274 -8.316 1.00 0.00 C ATOM 622 O SER A 951 -15.634 10.014 -7.664 1.00 0.00 O ATOM 623 CB SER A 951 -16.326 8.184 -10.057 1.00 0.00 C ATOM 624 OG SER A 951 -15.670 8.945 -11.056 1.00 0.00 O ATOM 0 H SER A 951 -17.094 7.009 -8.031 1.00 0.00 H new ATOM 0 HA SER A 951 -14.552 7.349 -9.180 1.00 0.00 H new ATOM 0 HB2 SER A 951 -16.645 7.229 -10.474 1.00 0.00 H new ATOM 0 HB3 SER A 951 -17.226 8.705 -9.731 1.00 0.00 H new ATOM 0 HG SER A 951 -16.277 9.085 -11.812 1.00 0.00 H new ATOM 630 N SER A 952 -13.632 9.572 -8.591 1.00 0.00 N ATOM 631 CA SER A 952 -13.021 10.813 -8.129 1.00 0.00 C ATOM 632 C SER A 952 -12.998 11.855 -9.243 1.00 0.00 C ATOM 633 O SER A 952 -13.128 13.052 -8.992 1.00 0.00 O ATOM 634 CB SER A 952 -11.599 10.551 -7.630 1.00 0.00 C ATOM 635 OG SER A 952 -11.606 10.087 -6.291 1.00 0.00 O ATOM 0 H SER A 952 -13.010 8.971 -9.131 1.00 0.00 H new ATOM 0 HA SER A 952 -13.621 11.200 -7.306 1.00 0.00 H new ATOM 0 HB2 SER A 952 -11.115 9.814 -8.271 1.00 0.00 H new ATOM 0 HB3 SER A 952 -11.012 11.467 -7.698 1.00 0.00 H new ATOM 0 HG SER A 952 -10.686 9.925 -5.996 1.00 0.00 H new ATOM 641 N GLY A 953 -12.830 11.389 -10.477 1.00 0.00 N ATOM 642 CA GLY A 953 -12.792 12.292 -11.612 1.00 0.00 C ATOM 643 C GLY A 953 -13.702 11.845 -12.740 1.00 0.00 C ATOM 644 O GLY A 953 -14.900 12.117 -12.686 1.00 0.00 O ATOM 0 H GLY A 953 -12.720 10.402 -10.711 1.00 0.00 H new ATOM 0 HA2 GLY A 953 -13.084 13.291 -11.288 1.00 0.00 H new ATOM 0 HA3 GLY A 953 -11.769 12.363 -11.981 1.00 0.00 H new TER 648 GLY A 953 HETATM 649 ZN ZN A 201 -1.701 2.522 3.768 1.00 0.00 ZN