USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 434 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 141 HIS HD1 : A 141 HIS ND1 : A 195 ZNZN :(H bumps) USER MOD Set 1.1: A 126 SER OG : rot -116:sc= 0.344 USER MOD Set 1.2: A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 174:sc=-0.00248 (180deg=-0.035) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -166:sc=-0.00572 (180deg=-0.168) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -173:sc= 0.00272 (180deg=-0.0188) USER MOD Single : A 143 ASN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 149 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0195) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot -46:sc=0.000109 USER MOD Single : A 158 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 TYR OH : rot -168:sc= 0.0535 USER MOD Single : A 168 CYS SG : rot -26:sc= -1.09! USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 ASN : amide:sc= 0.0205 X(o=0.02,f=-9.3e-05) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 117 -5.680 -12.174 -4.233 1.00 0.00 N ATOM 2 CA ALA A 117 -4.368 -12.863 -4.213 1.00 0.00 C ATOM 3 C ALA A 117 -3.514 -12.360 -5.332 1.00 0.00 C ATOM 4 O ALA A 117 -3.811 -12.596 -6.504 1.00 0.00 O ATOM 5 CB ALA A 117 -4.553 -14.387 -4.356 1.00 0.00 C ATOM 0 HA ALA A 117 -3.884 -12.654 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -3.578 -14.875 -4.339 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.159 -14.759 -3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.052 -14.606 -5.300 1.00 0.00 H new ATOM 11 N GLU A 118 -2.429 -11.634 -4.982 1.00 0.00 N ATOM 12 CA GLU A 118 -1.509 -11.064 -5.937 1.00 0.00 C ATOM 13 C GLU A 118 -0.180 -11.139 -5.240 1.00 0.00 C ATOM 14 O GLU A 118 0.127 -12.143 -4.600 1.00 0.00 O ATOM 15 CB GLU A 118 -1.820 -9.594 -6.350 1.00 0.00 C ATOM 16 CG GLU A 118 -3.178 -9.407 -7.054 1.00 0.00 C ATOM 17 CD GLU A 118 -3.369 -7.938 -7.435 1.00 0.00 C ATOM 18 OE1 GLU A 118 -2.539 -7.418 -8.228 1.00 0.00 O ATOM 19 OE2 GLU A 118 -4.349 -7.319 -6.944 1.00 0.00 O ATOM 0 H GLU A 118 -2.183 -11.437 -4.012 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.561 -11.610 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.796 -8.966 -5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -1.029 -9.240 -7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.224 -10.032 -7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.986 -9.729 -6.397 1.00 0.00 H new ATOM 26 N LYS A 119 0.645 -10.073 -5.353 1.00 0.00 N ATOM 27 CA LYS A 119 1.904 -9.981 -4.671 1.00 0.00 C ATOM 28 C LYS A 119 1.877 -8.818 -3.728 1.00 0.00 C ATOM 29 O LYS A 119 1.029 -7.931 -3.807 1.00 0.00 O ATOM 30 CB LYS A 119 3.131 -9.894 -5.576 1.00 0.00 C ATOM 31 CG LYS A 119 3.341 -11.142 -6.450 1.00 0.00 C ATOM 32 CD LYS A 119 4.642 -11.124 -7.273 1.00 0.00 C ATOM 33 CE LYS A 119 5.940 -11.134 -6.446 1.00 0.00 C ATOM 34 NZ LYS A 119 6.024 -12.327 -5.570 1.00 0.00 N ATOM 0 H LYS A 119 0.431 -9.260 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 119 2.017 -10.923 -4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 119 3.035 -9.021 -6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.017 -9.739 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.341 -12.024 -5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.495 -11.242 -7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.646 -11.989 -7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.640 -10.237 -7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 119 6.799 -11.114 -7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 119 5.990 -10.231 -5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.954 -12.352 -5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.277 -12.280 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.899 -13.187 -6.142 1.00 0.00 H new ATOM 48 N CYS A 120 2.854 -8.846 -2.801 1.00 0.00 N ATOM 49 CA CYS A 120 3.140 -7.850 -1.815 1.00 0.00 C ATOM 50 C CYS A 120 4.230 -6.993 -2.398 1.00 0.00 C ATOM 51 O CYS A 120 5.254 -7.506 -2.845 1.00 0.00 O ATOM 52 CB CYS A 120 3.626 -8.500 -0.500 1.00 0.00 C ATOM 53 SG CYS A 120 3.837 -7.318 0.854 1.00 0.00 S ATOM 0 H CYS A 120 3.498 -9.635 -2.739 1.00 0.00 H new ATOM 0 HA CYS A 120 2.249 -7.269 -1.575 1.00 0.00 H new ATOM 0 HB2 CYS A 120 2.911 -9.265 -0.196 1.00 0.00 H new ATOM 0 HB3 CYS A 120 4.575 -9.005 -0.682 1.00 0.00 H new ATOM 58 N SER A 121 4.004 -5.658 -2.437 1.00 0.00 N ATOM 59 CA SER A 121 4.914 -4.702 -3.027 1.00 0.00 C ATOM 60 C SER A 121 6.144 -4.517 -2.165 1.00 0.00 C ATOM 61 O SER A 121 7.227 -4.262 -2.690 1.00 0.00 O ATOM 62 CB SER A 121 4.228 -3.324 -3.236 1.00 0.00 C ATOM 63 OG SER A 121 5.005 -2.448 -4.045 1.00 0.00 O ATOM 0 H SER A 121 3.165 -5.229 -2.047 1.00 0.00 H new ATOM 0 HA SER A 121 5.211 -5.102 -3.996 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.253 -3.473 -3.700 1.00 0.00 H new ATOM 0 HB3 SER A 121 4.052 -2.858 -2.266 1.00 0.00 H new ATOM 0 HG SER A 121 4.534 -1.595 -4.150 1.00 0.00 H new ATOM 69 N ARG A 122 6.000 -4.654 -0.824 1.00 0.00 N ATOM 70 CA ARG A 122 7.032 -4.331 0.133 1.00 0.00 C ATOM 71 C ARG A 122 8.040 -5.444 0.207 1.00 0.00 C ATOM 72 O ARG A 122 9.206 -5.236 -0.128 1.00 0.00 O ATOM 73 CB ARG A 122 6.428 -4.125 1.542 1.00 0.00 C ATOM 74 CG ARG A 122 7.393 -3.889 2.727 1.00 0.00 C ATOM 75 CD ARG A 122 8.028 -2.493 2.828 1.00 0.00 C ATOM 76 NE ARG A 122 9.126 -2.333 1.824 1.00 0.00 N ATOM 77 CZ ARG A 122 9.882 -1.192 1.756 1.00 0.00 C ATOM 78 NH1 ARG A 122 9.613 -0.123 2.561 1.00 0.00 N ATOM 79 NH2 ARG A 122 10.918 -1.123 0.870 1.00 0.00 N ATOM 0 H ARG A 122 5.142 -4.999 -0.393 1.00 0.00 H new ATOM 0 HA ARG A 122 7.514 -3.410 -0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.749 -3.273 1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.823 -5.001 1.776 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.851 -4.085 3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 122 8.195 -4.625 2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.267 -1.730 2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 122 8.423 -2.340 3.832 1.00 0.00 H new ATOM 0 HE ARG A 122 9.317 -3.094 1.172 1.00 0.00 H new ATOM 0 HH11 ARG A 122 8.840 -0.166 3.225 1.00 0.00 H new ATOM 0 HH12 ARG A 122 10.185 0.719 2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 122 11.125 -1.917 0.264 1.00 0.00 H new ATOM 0 HH22 ARG A 122 11.485 -0.277 0.813 1.00 0.00 H new ATOM 93 N CYS A 123 7.617 -6.649 0.662 1.00 0.00 N ATOM 94 CA CYS A 123 8.543 -7.698 1.022 1.00 0.00 C ATOM 95 C CYS A 123 8.850 -8.572 -0.170 1.00 0.00 C ATOM 96 O CYS A 123 9.934 -9.149 -0.247 1.00 0.00 O ATOM 97 CB CYS A 123 8.062 -8.530 2.247 1.00 0.00 C ATOM 98 SG CYS A 123 6.595 -9.586 1.993 1.00 0.00 S ATOM 0 H CYS A 123 6.635 -6.898 0.781 1.00 0.00 H new ATOM 0 HA CYS A 123 9.470 -7.217 1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 123 8.886 -9.165 2.573 1.00 0.00 H new ATOM 0 HB3 CYS A 123 7.848 -7.841 3.064 1.00 0.00 H new ATOM 103 N GLY A 124 7.909 -8.657 -1.142 1.00 0.00 N ATOM 104 CA GLY A 124 8.127 -9.338 -2.398 1.00 0.00 C ATOM 105 C GLY A 124 7.711 -10.776 -2.315 1.00 0.00 C ATOM 106 O GLY A 124 8.230 -11.612 -3.054 1.00 0.00 O ATOM 0 H GLY A 124 6.980 -8.246 -1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 124 7.565 -8.839 -3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 124 9.181 -9.277 -2.670 1.00 0.00 H new ATOM 110 N ASP A 125 6.749 -11.091 -1.418 1.00 0.00 N ATOM 111 CA ASP A 125 6.190 -12.412 -1.264 1.00 0.00 C ATOM 112 C ASP A 125 4.900 -12.395 -2.036 1.00 0.00 C ATOM 113 O ASP A 125 4.263 -11.353 -2.152 1.00 0.00 O ATOM 114 CB ASP A 125 5.908 -12.738 0.231 1.00 0.00 C ATOM 115 CG ASP A 125 5.411 -14.172 0.452 1.00 0.00 C ATOM 116 OD1 ASP A 125 6.165 -15.120 0.108 1.00 0.00 O ATOM 117 OD2 ASP A 125 4.272 -14.329 0.966 1.00 0.00 O ATOM 0 H ASP A 125 6.346 -10.406 -0.779 1.00 0.00 H new ATOM 0 HA ASP A 125 6.881 -13.173 -1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 125 6.819 -12.583 0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 125 5.165 -12.039 0.615 1.00 0.00 H new ATOM 122 N SER A 126 4.482 -13.562 -2.581 1.00 0.00 N ATOM 123 CA SER A 126 3.202 -13.699 -3.230 1.00 0.00 C ATOM 124 C SER A 126 2.227 -14.054 -2.143 1.00 0.00 C ATOM 125 O SER A 126 2.312 -15.134 -1.558 1.00 0.00 O ATOM 126 CB SER A 126 3.199 -14.776 -4.343 1.00 0.00 C ATOM 127 OG SER A 126 1.984 -14.763 -5.085 1.00 0.00 O ATOM 0 H SER A 126 5.036 -14.418 -2.572 1.00 0.00 H new ATOM 0 HA SER A 126 2.939 -12.770 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 126 4.039 -14.605 -5.017 1.00 0.00 H new ATOM 0 HB3 SER A 126 3.343 -15.760 -3.897 1.00 0.00 H new ATOM 0 HG SER A 126 1.513 -15.612 -4.956 1.00 0.00 H new ATOM 133 N VAL A 127 1.297 -13.118 -1.831 1.00 0.00 N ATOM 134 CA VAL A 127 0.356 -13.282 -0.751 1.00 0.00 C ATOM 135 C VAL A 127 -0.925 -13.782 -1.361 1.00 0.00 C ATOM 136 O VAL A 127 -1.410 -13.257 -2.364 1.00 0.00 O ATOM 137 CB VAL A 127 0.176 -12.029 0.106 1.00 0.00 C ATOM 138 CG1 VAL A 127 -0.484 -10.869 -0.664 1.00 0.00 C ATOM 139 CG2 VAL A 127 -0.592 -12.383 1.395 1.00 0.00 C ATOM 0 H VAL A 127 1.197 -12.237 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 127 0.738 -14.008 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 127 1.166 -11.666 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -0.586 -10.007 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.136 -10.601 -1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -1.469 -11.178 -1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -0.717 -11.486 2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -1.571 -12.786 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -0.031 -13.128 1.960 1.00 0.00 H new ATOM 149 N TYR A 128 -1.466 -14.867 -0.764 1.00 0.00 N ATOM 150 CA TYR A 128 -2.639 -15.551 -1.241 1.00 0.00 C ATOM 151 C TYR A 128 -3.701 -15.256 -0.229 1.00 0.00 C ATOM 152 O TYR A 128 -4.404 -14.253 -0.341 1.00 0.00 O ATOM 153 CB TYR A 128 -2.423 -17.080 -1.386 1.00 0.00 C ATOM 154 CG TYR A 128 -1.416 -17.335 -2.477 1.00 0.00 C ATOM 155 CD1 TYR A 128 -1.809 -17.322 -3.825 1.00 0.00 C ATOM 156 CD2 TYR A 128 -0.065 -17.573 -2.166 1.00 0.00 C ATOM 157 CE1 TYR A 128 -0.876 -17.544 -4.844 1.00 0.00 C ATOM 158 CE2 TYR A 128 0.873 -17.795 -3.182 1.00 0.00 C ATOM 159 CZ TYR A 128 0.468 -17.784 -4.523 1.00 0.00 C ATOM 160 OH TYR A 128 1.412 -18.011 -5.549 1.00 0.00 O ATOM 0 H TYR A 128 -1.074 -15.283 0.080 1.00 0.00 H new ATOM 0 HA TYR A 128 -2.906 -15.208 -2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.071 -17.501 -0.444 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -3.366 -17.572 -1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -2.843 -17.139 -4.078 1.00 0.00 H new ATOM 0 HD2 TYR A 128 0.252 -17.585 -1.134 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -1.191 -17.531 -5.877 1.00 0.00 H new ATOM 0 HE2 TYR A 128 1.908 -17.975 -2.932 1.00 0.00 H new ATOM 0 HH TYR A 128 2.296 -18.159 -5.153 1.00 0.00 H new ATOM 170 N ALA A 129 -3.822 -16.125 0.798 1.00 0.00 N ATOM 171 CA ALA A 129 -4.711 -15.925 1.911 1.00 0.00 C ATOM 172 C ALA A 129 -3.921 -16.312 3.127 1.00 0.00 C ATOM 173 O ALA A 129 -4.413 -17.018 4.007 1.00 0.00 O ATOM 174 CB ALA A 129 -5.980 -16.795 1.817 1.00 0.00 C ATOM 0 H ALA A 129 -3.287 -16.991 0.857 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.056 -14.891 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -6.616 -16.605 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -6.524 -16.548 0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -5.699 -17.848 1.798 1.00 0.00 H new ATOM 180 N ALA A 130 -2.654 -15.834 3.195 1.00 0.00 N ATOM 181 CA ALA A 130 -1.754 -16.082 4.294 1.00 0.00 C ATOM 182 C ALA A 130 -2.037 -15.031 5.329 1.00 0.00 C ATOM 183 O ALA A 130 -2.769 -15.279 6.286 1.00 0.00 O ATOM 184 CB ALA A 130 -0.274 -16.025 3.860 1.00 0.00 C ATOM 0 H ALA A 130 -2.243 -15.256 2.461 1.00 0.00 H new ATOM 0 HA ALA A 130 -1.916 -17.086 4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 130 0.365 -16.218 4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.090 -16.779 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.051 -15.037 3.457 1.00 0.00 H new ATOM 190 N GLU A 131 -1.485 -13.816 5.123 1.00 0.00 N ATOM 191 CA GLU A 131 -1.841 -12.646 5.877 1.00 0.00 C ATOM 192 C GLU A 131 -2.143 -11.642 4.810 1.00 0.00 C ATOM 193 O GLU A 131 -1.331 -10.777 4.493 1.00 0.00 O ATOM 194 CB GLU A 131 -0.713 -12.158 6.827 1.00 0.00 C ATOM 195 CG GLU A 131 -1.020 -10.877 7.634 1.00 0.00 C ATOM 196 CD GLU A 131 -2.272 -11.062 8.491 1.00 0.00 C ATOM 197 OE1 GLU A 131 -2.261 -11.964 9.371 1.00 0.00 O ATOM 198 OE2 GLU A 131 -3.251 -10.298 8.281 1.00 0.00 O ATOM 0 H GLU A 131 -0.773 -13.642 4.414 1.00 0.00 H new ATOM 0 HA GLU A 131 -2.675 -12.831 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -0.483 -12.960 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 131 0.185 -11.985 6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -0.171 -10.631 8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -1.161 -10.038 6.953 1.00 0.00 H new ATOM 205 N LYS A 132 -3.345 -11.762 4.207 1.00 0.00 N ATOM 206 CA LYS A 132 -3.831 -10.809 3.247 1.00 0.00 C ATOM 207 C LYS A 132 -4.821 -9.955 3.980 1.00 0.00 C ATOM 208 O LYS A 132 -5.713 -10.458 4.664 1.00 0.00 O ATOM 209 CB LYS A 132 -4.493 -11.472 2.022 1.00 0.00 C ATOM 210 CG LYS A 132 -5.195 -10.489 1.072 1.00 0.00 C ATOM 211 CD LYS A 132 -5.662 -11.174 -0.215 1.00 0.00 C ATOM 212 CE LYS A 132 -6.653 -10.344 -1.038 1.00 0.00 C ATOM 213 NZ LYS A 132 -7.942 -10.178 -0.325 1.00 0.00 N ATOM 0 H LYS A 132 -3.990 -12.532 4.388 1.00 0.00 H new ATOM 0 HA LYS A 132 -2.999 -10.230 2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -3.732 -12.018 1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -5.221 -12.205 2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -6.052 -10.044 1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -4.514 -9.675 0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -4.792 -11.398 -0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -6.126 -12.127 0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -6.223 -9.365 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -6.827 -10.829 -1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -8.662 -9.826 -0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -8.246 -11.095 0.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -7.824 -9.497 0.452 1.00 0.00 H new ATOM 227 N VAL A 133 -4.665 -8.624 3.826 1.00 0.00 N ATOM 228 CA VAL A 133 -5.563 -7.617 4.315 1.00 0.00 C ATOM 229 C VAL A 133 -5.588 -6.603 3.209 1.00 0.00 C ATOM 230 O VAL A 133 -4.690 -6.557 2.370 1.00 0.00 O ATOM 231 CB VAL A 133 -5.157 -6.954 5.631 1.00 0.00 C ATOM 232 CG1 VAL A 133 -5.472 -7.916 6.795 1.00 0.00 C ATOM 233 CG2 VAL A 133 -3.668 -6.547 5.624 1.00 0.00 C ATOM 0 H VAL A 133 -3.866 -8.228 3.331 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.527 -8.066 4.554 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.730 -6.035 5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -5.186 -7.452 7.739 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.540 -8.135 6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -4.913 -8.843 6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.414 -6.079 6.575 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.049 -7.433 5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -3.487 -5.842 4.813 1.00 0.00 H new ATOM 243 N ILE A 134 -6.656 -5.776 3.179 1.00 0.00 N ATOM 244 CA ILE A 134 -6.860 -4.778 2.160 1.00 0.00 C ATOM 245 C ILE A 134 -6.713 -3.456 2.854 1.00 0.00 C ATOM 246 O ILE A 134 -7.230 -3.253 3.952 1.00 0.00 O ATOM 247 CB ILE A 134 -8.230 -4.907 1.496 1.00 0.00 C ATOM 248 CG1 ILE A 134 -8.374 -6.268 0.761 1.00 0.00 C ATOM 249 CG2 ILE A 134 -8.505 -3.724 0.542 1.00 0.00 C ATOM 250 CD1 ILE A 134 -7.389 -6.488 -0.395 1.00 0.00 C ATOM 0 H ILE A 134 -7.397 -5.800 3.879 1.00 0.00 H new ATOM 0 HA ILE A 134 -6.138 -4.892 1.352 1.00 0.00 H new ATOM 0 HB ILE A 134 -8.982 -4.876 2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -8.245 -7.071 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -9.390 -6.349 0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -9.487 -3.845 0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -8.479 -2.790 1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -7.743 -3.700 -0.237 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -7.568 -7.465 -0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -7.531 -5.711 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -6.368 -6.445 -0.016 1.00 0.00 H new ATOM 262 N GLY A 135 -5.988 -2.522 2.194 1.00 0.00 N ATOM 263 CA GLY A 135 -5.844 -1.155 2.612 1.00 0.00 C ATOM 264 C GLY A 135 -6.833 -0.393 1.793 1.00 0.00 C ATOM 265 O GLY A 135 -7.888 -0.002 2.290 1.00 0.00 O ATOM 0 H GLY A 135 -5.482 -2.731 1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -6.046 -1.045 3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -4.829 -0.795 2.441 1.00 0.00 H new ATOM 269 N ALA A 136 -6.506 -0.196 0.494 1.00 0.00 N ATOM 270 CA ALA A 136 -7.368 0.450 -0.463 1.00 0.00 C ATOM 271 C ALA A 136 -8.023 -0.625 -1.277 1.00 0.00 C ATOM 272 O ALA A 136 -9.232 -0.834 -1.178 1.00 0.00 O ATOM 273 CB ALA A 136 -6.607 1.406 -1.397 1.00 0.00 C ATOM 0 H ALA A 136 -5.615 -0.495 0.098 1.00 0.00 H new ATOM 0 HA ALA A 136 -8.097 1.054 0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.306 1.864 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.123 2.184 -0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -5.852 0.849 -1.951 1.00 0.00 H new ATOM 279 N GLY A 137 -7.229 -1.342 -2.101 1.00 0.00 N ATOM 280 CA GLY A 137 -7.756 -2.392 -2.927 1.00 0.00 C ATOM 281 C GLY A 137 -6.595 -3.088 -3.549 1.00 0.00 C ATOM 282 O GLY A 137 -6.520 -3.204 -4.772 1.00 0.00 O ATOM 0 H GLY A 137 -6.224 -1.195 -2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -8.349 -3.088 -2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -8.416 -1.984 -3.693 1.00 0.00 H new ATOM 286 N LYS A 138 -5.654 -3.572 -2.707 1.00 0.00 N ATOM 287 CA LYS A 138 -4.490 -4.281 -3.172 1.00 0.00 C ATOM 288 C LYS A 138 -4.139 -5.248 -2.062 1.00 0.00 C ATOM 289 O LYS A 138 -4.341 -4.889 -0.903 1.00 0.00 O ATOM 290 CB LYS A 138 -3.297 -3.327 -3.437 1.00 0.00 C ATOM 291 CG LYS A 138 -2.174 -3.934 -4.294 1.00 0.00 C ATOM 292 CD LYS A 138 -0.942 -3.026 -4.475 1.00 0.00 C ATOM 293 CE LYS A 138 -1.224 -1.609 -5.005 1.00 0.00 C ATOM 294 NZ LYS A 138 -1.897 -1.639 -6.325 1.00 0.00 N ATOM 0 H LYS A 138 -5.700 -3.471 -1.693 1.00 0.00 H new ATOM 0 HA LYS A 138 -4.696 -4.782 -4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -3.669 -2.429 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -2.878 -3.015 -2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -1.854 -4.871 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -2.577 -4.178 -5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -0.434 -2.939 -3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -0.250 -3.518 -5.158 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -1.848 -1.071 -4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -0.287 -1.058 -5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -2.070 -0.666 -6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -1.291 -2.130 -7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -2.803 -2.142 -6.241 1.00 0.00 H new ATOM 308 N PRO A 139 -3.627 -6.457 -2.309 1.00 0.00 N ATOM 309 CA PRO A 139 -3.203 -7.367 -1.253 1.00 0.00 C ATOM 310 C PRO A 139 -1.978 -6.861 -0.526 1.00 0.00 C ATOM 311 O PRO A 139 -1.086 -6.306 -1.166 1.00 0.00 O ATOM 312 CB PRO A 139 -2.893 -8.676 -1.987 1.00 0.00 C ATOM 313 CG PRO A 139 -3.839 -8.646 -3.184 1.00 0.00 C ATOM 314 CD PRO A 139 -3.829 -7.170 -3.573 1.00 0.00 C ATOM 0 HA PRO A 139 -3.969 -7.479 -0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 139 -1.850 -8.723 -2.301 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -3.075 -9.544 -1.353 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -3.487 -9.282 -3.996 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -4.839 -8.990 -2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 139 -3.031 -6.952 -4.283 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -4.766 -6.879 -4.047 1.00 0.00 H new ATOM 322 N TRP A 140 -1.965 -7.016 0.815 1.00 0.00 N ATOM 323 CA TRP A 140 -0.986 -6.430 1.693 1.00 0.00 C ATOM 324 C TRP A 140 -0.844 -7.346 2.865 1.00 0.00 C ATOM 325 O TRP A 140 -1.831 -7.901 3.336 1.00 0.00 O ATOM 326 CB TRP A 140 -1.380 -5.049 2.277 1.00 0.00 C ATOM 327 CG TRP A 140 -1.520 -3.928 1.272 1.00 0.00 C ATOM 328 CD1 TRP A 140 -2.632 -3.201 0.957 1.00 0.00 C ATOM 329 CD2 TRP A 140 -0.442 -3.378 0.498 1.00 0.00 C ATOM 330 NE1 TRP A 140 -2.329 -2.240 0.022 1.00 0.00 N ATOM 331 CE2 TRP A 140 -0.986 -2.331 -0.277 1.00 0.00 C ATOM 332 CE3 TRP A 140 0.909 -3.700 0.425 1.00 0.00 C ATOM 333 CZ2 TRP A 140 -0.186 -1.596 -1.142 1.00 0.00 C ATOM 334 CZ3 TRP A 140 1.724 -2.931 -0.416 1.00 0.00 C ATOM 335 CH2 TRP A 140 1.182 -1.896 -1.192 1.00 0.00 C ATOM 0 H TRP A 140 -2.663 -7.571 1.309 1.00 0.00 H new ATOM 0 HA TRP A 140 -0.082 -6.291 1.099 1.00 0.00 H new ATOM 0 HB2 TRP A 140 -2.326 -5.156 2.808 1.00 0.00 H new ATOM 0 HB3 TRP A 140 -0.631 -4.760 3.014 1.00 0.00 H new ATOM 0 HD1 TRP A 140 -3.612 -3.359 1.383 1.00 0.00 H new ATOM 0 HE1 TRP A 140 -2.986 -1.573 -0.382 1.00 0.00 H new ATOM 0 HE3 TRP A 140 1.318 -4.518 0.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 -0.606 -0.815 -1.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.783 -3.138 -0.467 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.829 -1.321 -1.838 1.00 0.00 H new ATOM 346 N HIS A 141 0.399 -7.522 3.382 1.00 0.00 N ATOM 347 CA HIS A 141 0.598 -8.004 4.732 1.00 0.00 C ATOM 348 C HIS A 141 0.448 -6.797 5.617 1.00 0.00 C ATOM 349 O HIS A 141 0.602 -5.664 5.164 1.00 0.00 O ATOM 350 CB HIS A 141 1.954 -8.682 5.031 1.00 0.00 C ATOM 351 CG HIS A 141 2.285 -9.828 4.115 1.00 0.00 C ATOM 352 ND1 HIS A 141 3.327 -9.821 3.217 1.00 0.00 N ATOM 353 CD2 HIS A 141 1.711 -11.050 4.049 1.00 0.00 C ATOM 354 CE1 HIS A 141 3.366 -11.012 2.633 1.00 0.00 C ATOM 355 NE2 HIS A 141 2.401 -11.774 3.118 1.00 0.00 N ATOM 0 H HIS A 141 1.261 -7.332 2.871 1.00 0.00 H new ATOM 0 HA HIS A 141 -0.130 -8.797 4.904 1.00 0.00 H new ATOM 0 HB2 HIS A 141 2.745 -7.935 4.960 1.00 0.00 H new ATOM 0 HB3 HIS A 141 1.948 -9.043 6.059 1.00 0.00 H new ATOM 0 HD2 HIS A 141 0.864 -11.391 4.625 1.00 0.00 H new ATOM 0 HE1 HIS A 141 4.077 -11.312 1.878 1.00 0.00 H new ATOM 0 HE2 HIS A 141 2.205 -12.737 2.844 1.00 0.00 H new ATOM 363 N LYS A 142 0.060 -7.013 6.893 1.00 0.00 N ATOM 364 CA LYS A 142 -0.399 -5.950 7.754 1.00 0.00 C ATOM 365 C LYS A 142 0.704 -5.086 8.316 1.00 0.00 C ATOM 366 O LYS A 142 0.433 -4.046 8.913 1.00 0.00 O ATOM 367 CB LYS A 142 -1.264 -6.491 8.917 1.00 0.00 C ATOM 368 CG LYS A 142 -0.526 -7.453 9.864 1.00 0.00 C ATOM 369 CD LYS A 142 -1.441 -8.030 10.957 1.00 0.00 C ATOM 370 CE LYS A 142 -0.712 -8.936 11.960 1.00 0.00 C ATOM 371 NZ LYS A 142 -0.137 -10.131 11.296 1.00 0.00 N ATOM 0 H LYS A 142 0.064 -7.932 7.335 1.00 0.00 H new ATOM 0 HA LYS A 142 -1.003 -5.316 7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -1.640 -5.648 9.496 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -2.131 -7.004 8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -0.100 -8.271 9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 142 0.306 -6.927 10.333 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -1.909 -7.207 11.498 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -2.243 -8.598 10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 142 0.083 -8.373 12.449 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -1.406 -9.250 12.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 0.244 -10.778 12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -0.878 -10.616 10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 0.628 -9.838 10.655 1.00 0.00 H new ATOM 385 N ASN A 143 1.975 -5.487 8.111 1.00 0.00 N ATOM 386 CA ASN A 143 3.148 -4.733 8.495 1.00 0.00 C ATOM 387 C ASN A 143 3.716 -4.108 7.240 1.00 0.00 C ATOM 388 O ASN A 143 4.451 -3.122 7.293 1.00 0.00 O ATOM 389 CB ASN A 143 4.208 -5.660 9.153 1.00 0.00 C ATOM 390 CG ASN A 143 5.386 -4.875 9.754 1.00 0.00 C ATOM 391 OD1 ASN A 143 6.526 -5.002 9.291 1.00 0.00 O ATOM 392 ND2 ASN A 143 5.086 -4.051 10.804 1.00 0.00 N ATOM 0 H ASN A 143 2.202 -6.373 7.659 1.00 0.00 H new ATOM 0 HA ASN A 143 2.881 -3.968 9.224 1.00 0.00 H new ATOM 0 HB2 ASN A 143 3.733 -6.251 9.936 1.00 0.00 H new ATOM 0 HB3 ASN A 143 4.585 -6.361 8.408 1.00 0.00 H new ATOM 0 HD21 ASN A 143 5.822 -3.501 11.247 1.00 0.00 H new ATOM 0 HD22 ASN A 143 4.126 -3.987 11.144 1.00 0.00 H new ATOM 399 N CYS A 144 3.370 -4.698 6.077 1.00 0.00 N ATOM 400 CA CYS A 144 3.876 -4.372 4.770 1.00 0.00 C ATOM 401 C CYS A 144 2.993 -3.374 4.054 1.00 0.00 C ATOM 402 O CYS A 144 2.869 -3.450 2.833 1.00 0.00 O ATOM 403 CB CYS A 144 3.921 -5.618 3.858 1.00 0.00 C ATOM 404 SG CYS A 144 5.105 -6.925 4.282 1.00 0.00 S ATOM 0 H CYS A 144 2.689 -5.456 6.047 1.00 0.00 H new ATOM 0 HA CYS A 144 4.871 -3.962 4.941 1.00 0.00 H new ATOM 0 HB2 CYS A 144 2.924 -6.059 3.842 1.00 0.00 H new ATOM 0 HB3 CYS A 144 4.138 -5.284 2.843 1.00 0.00 H new ATOM 409 N PHE A 145 2.330 -2.418 4.753 1.00 0.00 N ATOM 410 CA PHE A 145 1.488 -1.438 4.093 1.00 0.00 C ATOM 411 C PHE A 145 2.385 -0.338 3.593 1.00 0.00 C ATOM 412 O PHE A 145 2.474 0.727 4.199 1.00 0.00 O ATOM 413 CB PHE A 145 0.439 -0.759 5.015 1.00 0.00 C ATOM 414 CG PHE A 145 -0.715 -1.652 5.365 1.00 0.00 C ATOM 415 CD1 PHE A 145 -1.643 -2.032 4.380 1.00 0.00 C ATOM 416 CD2 PHE A 145 -0.955 -2.012 6.702 1.00 0.00 C ATOM 417 CE1 PHE A 145 -2.791 -2.758 4.725 1.00 0.00 C ATOM 418 CE2 PHE A 145 -2.102 -2.734 7.050 1.00 0.00 C ATOM 419 CZ PHE A 145 -3.022 -3.105 6.061 1.00 0.00 C ATOM 0 H PHE A 145 2.374 -2.321 5.767 1.00 0.00 H new ATOM 0 HA PHE A 145 0.944 -1.973 3.315 1.00 0.00 H new ATOM 0 HB2 PHE A 145 0.929 -0.435 5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 145 0.059 0.136 4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -1.470 -1.762 3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -0.248 -1.729 7.468 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -3.496 -3.049 3.961 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -2.278 -3.005 8.081 1.00 0.00 H new ATOM 0 HZ PHE A 145 -3.910 -3.659 6.329 1.00 0.00 H new ATOM 429 N ARG A 146 3.076 -0.573 2.454 1.00 0.00 N ATOM 430 CA ARG A 146 3.975 0.389 1.886 1.00 0.00 C ATOM 431 C ARG A 146 3.144 1.290 1.034 1.00 0.00 C ATOM 432 O ARG A 146 2.358 0.829 0.208 1.00 0.00 O ATOM 433 CB ARG A 146 5.086 -0.228 1.006 1.00 0.00 C ATOM 434 CG ARG A 146 6.182 0.772 0.626 1.00 0.00 C ATOM 435 CD ARG A 146 6.782 0.548 -0.767 1.00 0.00 C ATOM 436 NE ARG A 146 7.617 -0.695 -0.786 1.00 0.00 N ATOM 437 CZ ARG A 146 8.343 -1.052 -1.890 1.00 0.00 C ATOM 438 NH1 ARG A 146 8.210 -0.373 -3.067 1.00 0.00 N ATOM 439 NH2 ARG A 146 9.220 -2.095 -1.814 1.00 0.00 N ATOM 0 H ARG A 146 3.008 -1.441 1.923 1.00 0.00 H new ATOM 0 HA ARG A 146 4.485 0.901 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 146 5.537 -1.067 1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 146 4.639 -0.630 0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 146 5.771 1.780 0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 146 6.980 0.718 1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 146 5.983 0.468 -1.505 1.00 0.00 H new ATOM 0 HD3 ARG A 146 7.391 1.407 -1.049 1.00 0.00 H new ATOM 0 HE ARG A 146 7.645 -1.289 0.043 1.00 0.00 H new ATOM 0 HH11 ARG A 146 7.563 0.412 -3.132 1.00 0.00 H new ATOM 0 HH12 ARG A 146 8.758 -0.651 -3.881 1.00 0.00 H new ATOM 0 HH21 ARG A 146 9.332 -2.604 -0.937 1.00 0.00 H new ATOM 0 HH22 ARG A 146 9.763 -2.365 -2.634 1.00 0.00 H new ATOM 453 N CYS A 147 3.330 2.615 1.210 1.00 0.00 N ATOM 454 CA CYS A 147 2.679 3.637 0.475 1.00 0.00 C ATOM 455 C CYS A 147 3.288 3.656 -0.906 1.00 0.00 C ATOM 456 O CYS A 147 4.482 3.406 -1.070 1.00 0.00 O ATOM 457 CB CYS A 147 2.806 4.994 1.198 1.00 0.00 C ATOM 458 SG CYS A 147 4.356 5.872 0.936 1.00 0.00 S ATOM 0 H CYS A 147 3.975 2.983 1.909 1.00 0.00 H new ATOM 0 HA CYS A 147 1.609 3.443 0.393 1.00 0.00 H new ATOM 0 HB2 CYS A 147 1.986 5.636 0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 147 2.679 4.829 2.268 1.00 0.00 H new ATOM 463 N ALA A 148 2.463 3.880 -1.941 1.00 0.00 N ATOM 464 CA ALA A 148 2.891 3.738 -3.309 1.00 0.00 C ATOM 465 C ALA A 148 3.689 4.920 -3.814 1.00 0.00 C ATOM 466 O ALA A 148 4.134 4.897 -4.962 1.00 0.00 O ATOM 467 CB ALA A 148 1.685 3.518 -4.227 1.00 0.00 C ATOM 0 H ALA A 148 1.489 4.163 -1.836 1.00 0.00 H new ATOM 0 HA ALA A 148 3.549 2.869 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 148 2.026 3.413 -5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 148 1.158 2.613 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 148 1.011 4.372 -4.153 1.00 0.00 H new ATOM 473 N LYS A 149 3.899 5.976 -2.984 1.00 0.00 N ATOM 474 CA LYS A 149 4.611 7.164 -3.398 1.00 0.00 C ATOM 475 C LYS A 149 5.981 7.153 -2.781 1.00 0.00 C ATOM 476 O LYS A 149 6.962 6.901 -3.480 1.00 0.00 O ATOM 477 CB LYS A 149 3.881 8.464 -3.006 1.00 0.00 C ATOM 478 CG LYS A 149 2.753 8.844 -3.977 1.00 0.00 C ATOM 479 CD LYS A 149 1.910 10.027 -3.471 1.00 0.00 C ATOM 480 CE LYS A 149 0.745 10.403 -4.398 1.00 0.00 C ATOM 481 NZ LYS A 149 1.230 10.865 -5.719 1.00 0.00 N ATOM 0 H LYS A 149 3.572 6.005 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 149 4.673 7.148 -4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 149 3.466 8.352 -2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 149 4.603 9.279 -2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 149 3.183 9.097 -4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 149 2.105 7.981 -4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 149 1.513 9.782 -2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 149 2.557 10.895 -3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 149 0.091 9.541 -4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 149 0.148 11.188 -3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 0.422 11.175 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 1.888 11.660 -5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 1.721 10.085 -6.201 1.00 0.00 H new ATOM 495 N CYS A 150 6.090 7.439 -1.458 1.00 0.00 N ATOM 496 CA CYS A 150 7.361 7.745 -0.835 1.00 0.00 C ATOM 497 C CYS A 150 8.005 6.515 -0.244 1.00 0.00 C ATOM 498 O CYS A 150 9.163 6.554 0.169 1.00 0.00 O ATOM 499 CB CYS A 150 7.275 8.912 0.203 1.00 0.00 C ATOM 500 SG CYS A 150 6.530 8.634 1.867 1.00 0.00 S ATOM 0 H CYS A 150 5.297 7.459 -0.817 1.00 0.00 H new ATOM 0 HA CYS A 150 8.008 8.104 -1.635 1.00 0.00 H new ATOM 0 HB2 CYS A 150 8.290 9.276 0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 150 6.716 9.721 -0.268 1.00 0.00 H new ATOM 505 N GLY A 151 7.269 5.380 -0.229 1.00 0.00 N ATOM 506 CA GLY A 151 7.759 4.089 0.176 1.00 0.00 C ATOM 507 C GLY A 151 7.760 3.891 1.657 1.00 0.00 C ATOM 508 O GLY A 151 8.362 2.929 2.130 1.00 0.00 O ATOM 0 H GLY A 151 6.289 5.362 -0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 151 7.146 3.315 -0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 151 8.774 3.959 -0.201 1.00 0.00 H new ATOM 512 N LYS A 152 7.115 4.795 2.442 1.00 0.00 N ATOM 513 CA LYS A 152 7.061 4.651 3.878 1.00 0.00 C ATOM 514 C LYS A 152 6.177 3.480 4.220 1.00 0.00 C ATOM 515 O LYS A 152 5.012 3.433 3.825 1.00 0.00 O ATOM 516 CB LYS A 152 6.505 5.914 4.575 1.00 0.00 C ATOM 517 CG LYS A 152 6.512 5.854 6.110 1.00 0.00 C ATOM 518 CD LYS A 152 5.916 7.113 6.759 1.00 0.00 C ATOM 519 CE LYS A 152 5.876 7.030 8.290 1.00 0.00 C ATOM 520 NZ LYS A 152 5.267 8.250 8.870 1.00 0.00 N ATOM 0 H LYS A 152 6.634 5.620 2.083 1.00 0.00 H new ATOM 0 HA LYS A 152 8.080 4.495 4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 152 7.090 6.776 4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.482 6.080 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 152 5.948 4.981 6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 152 7.536 5.721 6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 152 6.503 7.982 6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 152 4.905 7.267 6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 152 5.305 6.153 8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 152 6.887 6.904 8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 5.251 8.171 9.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 5.827 9.082 8.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 4.295 8.355 8.516 1.00 0.00 H new ATOM 534 N SER A 153 6.748 2.496 4.958 1.00 0.00 N ATOM 535 CA SER A 153 6.059 1.297 5.361 1.00 0.00 C ATOM 536 C SER A 153 5.330 1.608 6.637 1.00 0.00 C ATOM 537 O SER A 153 5.844 2.325 7.496 1.00 0.00 O ATOM 538 CB SER A 153 6.988 0.069 5.543 1.00 0.00 C ATOM 539 OG SER A 153 8.077 0.333 6.422 1.00 0.00 O ATOM 0 H SER A 153 7.714 2.537 5.282 1.00 0.00 H new ATOM 0 HA SER A 153 5.372 1.010 4.564 1.00 0.00 H new ATOM 0 HB2 SER A 153 6.407 -0.767 5.931 1.00 0.00 H new ATOM 0 HB3 SER A 153 7.376 -0.236 4.571 1.00 0.00 H new ATOM 0 HG SER A 153 8.632 -0.470 6.506 1.00 0.00 H new ATOM 545 N LEU A 154 4.085 1.101 6.748 1.00 0.00 N ATOM 546 CA LEU A 154 3.168 1.477 7.791 1.00 0.00 C ATOM 547 C LEU A 154 2.744 0.193 8.438 1.00 0.00 C ATOM 548 O LEU A 154 2.635 -0.837 7.774 1.00 0.00 O ATOM 549 CB LEU A 154 1.909 2.205 7.250 1.00 0.00 C ATOM 550 CG LEU A 154 2.200 3.325 6.217 1.00 0.00 C ATOM 551 CD1 LEU A 154 0.925 3.701 5.446 1.00 0.00 C ATOM 552 CD2 LEU A 154 2.880 4.566 6.821 1.00 0.00 C ATOM 0 H LEU A 154 3.704 0.413 6.098 1.00 0.00 H new ATOM 0 HA LEU A 154 3.656 2.170 8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 154 1.250 1.468 6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 154 1.367 2.637 8.091 1.00 0.00 H new ATOM 0 HG LEU A 154 2.924 2.910 5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 154 1.153 4.488 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 154 0.548 2.825 4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 154 0.168 4.057 6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 154 3.051 5.305 6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 154 2.238 4.995 7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 154 3.834 4.279 7.264 1.00 0.00 H new ATOM 564 N GLU A 155 2.501 0.232 9.768 1.00 0.00 N ATOM 565 CA GLU A 155 2.060 -0.909 10.529 1.00 0.00 C ATOM 566 C GLU A 155 0.581 -0.751 10.717 1.00 0.00 C ATOM 567 O GLU A 155 -0.201 -1.613 10.322 1.00 0.00 O ATOM 568 CB GLU A 155 2.762 -1.013 11.903 1.00 0.00 C ATOM 569 CG GLU A 155 2.357 -2.264 12.705 1.00 0.00 C ATOM 570 CD GLU A 155 3.184 -2.346 13.986 1.00 0.00 C ATOM 571 OE1 GLU A 155 3.049 -1.425 14.837 1.00 0.00 O ATOM 572 OE2 GLU A 155 3.958 -3.329 14.134 1.00 0.00 O ATOM 0 H GLU A 155 2.614 1.077 10.329 1.00 0.00 H new ATOM 0 HA GLU A 155 2.310 -1.825 9.993 1.00 0.00 H new ATOM 0 HB2 GLU A 155 3.841 -1.022 11.751 1.00 0.00 H new ATOM 0 HB3 GLU A 155 2.530 -0.124 12.489 1.00 0.00 H new ATOM 0 HG2 GLU A 155 1.295 -2.223 12.948 1.00 0.00 H new ATOM 0 HG3 GLU A 155 2.512 -3.159 12.103 1.00 0.00 H new ATOM 579 N SER A 156 0.163 0.390 11.316 1.00 0.00 N ATOM 580 CA SER A 156 -1.227 0.698 11.549 1.00 0.00 C ATOM 581 C SER A 156 -1.812 1.249 10.280 1.00 0.00 C ATOM 582 O SER A 156 -1.092 1.765 9.424 1.00 0.00 O ATOM 583 CB SER A 156 -1.435 1.745 12.667 1.00 0.00 C ATOM 584 OG SER A 156 -0.914 1.265 13.899 1.00 0.00 O ATOM 0 H SER A 156 0.803 1.113 11.645 1.00 0.00 H new ATOM 0 HA SER A 156 -1.715 -0.225 11.863 1.00 0.00 H new ATOM 0 HB2 SER A 156 -0.942 2.679 12.396 1.00 0.00 H new ATOM 0 HB3 SER A 156 -2.497 1.965 12.775 1.00 0.00 H new ATOM 0 HG SER A 156 -1.051 1.939 14.597 1.00 0.00 H new ATOM 590 N THR A 157 -3.154 1.131 10.141 1.00 0.00 N ATOM 591 CA THR A 157 -3.879 1.601 8.986 1.00 0.00 C ATOM 592 C THR A 157 -4.424 2.952 9.368 1.00 0.00 C ATOM 593 O THR A 157 -5.575 3.087 9.780 1.00 0.00 O ATOM 594 CB THR A 157 -4.993 0.656 8.552 1.00 0.00 C ATOM 595 OG1 THR A 157 -4.474 -0.658 8.380 1.00 0.00 O ATOM 596 CG2 THR A 157 -5.634 1.118 7.224 1.00 0.00 C ATOM 0 H THR A 157 -3.750 0.699 10.847 1.00 0.00 H new ATOM 0 HA THR A 157 -3.216 1.656 8.122 1.00 0.00 H new ATOM 0 HB THR A 157 -5.756 0.661 9.331 1.00 0.00 H new ATOM 0 HG1 THR A 157 -3.642 -0.616 7.864 1.00 0.00 H new ATOM 0 HG21 THR A 157 -6.425 0.424 6.941 1.00 0.00 H new ATOM 0 HG22 THR A 157 -6.055 2.115 7.351 1.00 0.00 H new ATOM 0 HG23 THR A 157 -4.875 1.141 6.442 1.00 0.00 H new ATOM 604 N THR A 158 -3.563 3.990 9.247 1.00 0.00 N ATOM 605 CA THR A 158 -3.927 5.364 9.474 1.00 0.00 C ATOM 606 C THR A 158 -3.292 6.079 8.318 1.00 0.00 C ATOM 607 O THR A 158 -2.151 6.533 8.395 1.00 0.00 O ATOM 608 CB THR A 158 -3.432 5.924 10.802 1.00 0.00 C ATOM 609 OG1 THR A 158 -3.896 5.115 11.877 1.00 0.00 O ATOM 610 CG2 THR A 158 -3.929 7.372 11.009 1.00 0.00 C ATOM 0 H THR A 158 -2.585 3.869 8.983 1.00 0.00 H new ATOM 0 HA THR A 158 -5.009 5.483 9.535 1.00 0.00 H new ATOM 0 HB THR A 158 -2.342 5.922 10.782 1.00 0.00 H new ATOM 0 HG1 THR A 158 -3.572 5.482 12.726 1.00 0.00 H new ATOM 0 HG21 THR A 158 -3.563 7.749 11.964 1.00 0.00 H new ATOM 0 HG22 THR A 158 -3.557 8.003 10.202 1.00 0.00 H new ATOM 0 HG23 THR A 158 -5.019 7.386 11.007 1.00 0.00 H new ATOM 618 N LEU A 159 -4.032 6.151 7.190 1.00 0.00 N ATOM 619 CA LEU A 159 -3.542 6.743 5.976 1.00 0.00 C ATOM 620 C LEU A 159 -4.737 7.012 5.108 1.00 0.00 C ATOM 621 O LEU A 159 -5.873 6.750 5.501 1.00 0.00 O ATOM 622 CB LEU A 159 -2.507 5.880 5.197 1.00 0.00 C ATOM 623 CG LEU A 159 -2.982 4.493 4.693 1.00 0.00 C ATOM 624 CD1 LEU A 159 -2.136 4.039 3.496 1.00 0.00 C ATOM 625 CD2 LEU A 159 -2.994 3.397 5.773 1.00 0.00 C ATOM 0 H LEU A 159 -4.985 5.793 7.120 1.00 0.00 H new ATOM 0 HA LEU A 159 -2.999 7.649 6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -2.167 6.455 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -1.641 5.728 5.841 1.00 0.00 H new ATOM 0 HG LEU A 159 -4.020 4.632 4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -2.483 3.064 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -2.233 4.762 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -1.090 3.968 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -3.339 2.460 5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -1.987 3.265 6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -3.665 3.689 6.581 1.00 0.00 H new ATOM 637 N THR A 160 -4.488 7.558 3.892 1.00 0.00 N ATOM 638 CA THR A 160 -5.506 7.853 2.915 1.00 0.00 C ATOM 639 C THR A 160 -5.466 6.757 1.876 1.00 0.00 C ATOM 640 O THR A 160 -4.431 6.144 1.618 1.00 0.00 O ATOM 641 CB THR A 160 -5.340 9.246 2.304 1.00 0.00 C ATOM 642 OG1 THR A 160 -6.420 9.595 1.441 1.00 0.00 O ATOM 643 CG2 THR A 160 -3.994 9.410 1.568 1.00 0.00 C ATOM 0 H THR A 160 -3.548 7.802 3.580 1.00 0.00 H new ATOM 0 HA THR A 160 -6.486 7.876 3.392 1.00 0.00 H new ATOM 0 HB THR A 160 -5.348 9.937 3.147 1.00 0.00 H new ATOM 0 HG1 THR A 160 -6.271 10.492 1.077 1.00 0.00 H new ATOM 0 HG21 THR A 160 -3.926 10.416 1.153 1.00 0.00 H new ATOM 0 HG22 THR A 160 -3.174 9.251 2.269 1.00 0.00 H new ATOM 0 HG23 THR A 160 -3.929 8.680 0.762 1.00 0.00 H new ATOM 651 N GLU A 161 -6.644 6.483 1.277 1.00 0.00 N ATOM 652 CA GLU A 161 -6.829 5.524 0.221 1.00 0.00 C ATOM 653 C GLU A 161 -7.458 6.351 -0.863 1.00 0.00 C ATOM 654 O GLU A 161 -8.432 7.059 -0.608 1.00 0.00 O ATOM 655 CB GLU A 161 -7.835 4.397 0.576 1.00 0.00 C ATOM 656 CG GLU A 161 -7.392 3.439 1.704 1.00 0.00 C ATOM 657 CD GLU A 161 -7.472 4.079 3.091 1.00 0.00 C ATOM 658 OE1 GLU A 161 -8.571 4.574 3.457 1.00 0.00 O ATOM 659 OE2 GLU A 161 -6.435 4.070 3.808 1.00 0.00 O ATOM 0 H GLU A 161 -7.510 6.952 1.541 1.00 0.00 H new ATOM 0 HA GLU A 161 -5.887 5.031 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -8.781 4.856 0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -8.026 3.809 -0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -8.018 2.547 1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -6.368 3.114 1.517 1.00 0.00 H new ATOM 666 N LYS A 162 -6.908 6.306 -2.097 1.00 0.00 N ATOM 667 CA LYS A 162 -7.480 7.055 -3.197 1.00 0.00 C ATOM 668 C LYS A 162 -7.099 6.191 -4.336 1.00 0.00 C ATOM 669 O LYS A 162 -5.934 5.751 -4.356 1.00 0.00 O ATOM 670 CB LYS A 162 -6.882 8.480 -3.325 1.00 0.00 C ATOM 671 CG LYS A 162 -7.283 9.264 -4.588 1.00 0.00 C ATOM 672 CD LYS A 162 -6.210 9.239 -5.688 1.00 0.00 C ATOM 673 CE LYS A 162 -6.613 10.028 -6.939 1.00 0.00 C ATOM 674 NZ LYS A 162 -5.547 9.968 -7.967 1.00 0.00 N ATOM 0 H LYS A 162 -6.080 5.761 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 162 -8.549 7.243 -3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -7.181 9.059 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -5.795 8.401 -3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -8.210 8.849 -4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -7.488 10.299 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -5.281 9.649 -5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -6.008 8.205 -5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -7.540 9.624 -7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -6.808 11.067 -6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -5.842 10.509 -8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -4.671 10.375 -7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -5.379 8.977 -8.236 1.00 0.00 H new ATOM 688 N GLU A 163 -8.047 5.763 -5.259 1.00 0.00 N ATOM 689 CA GLU A 163 -7.470 4.719 -6.061 1.00 0.00 C ATOM 690 C GLU A 163 -7.430 3.426 -5.290 1.00 0.00 C ATOM 691 O GLU A 163 -7.022 3.474 -4.137 1.00 0.00 O ATOM 692 CB GLU A 163 -6.322 4.968 -7.088 1.00 0.00 C ATOM 693 CG GLU A 163 -6.690 6.053 -8.116 1.00 0.00 C ATOM 694 CD GLU A 163 -5.526 6.283 -9.077 1.00 0.00 C ATOM 695 OE1 GLU A 163 -4.461 6.769 -8.612 1.00 0.00 O ATOM 696 OE2 GLU A 163 -5.688 5.983 -10.291 1.00 0.00 O ATOM 0 H GLU A 163 -9.006 6.071 -5.418 1.00 0.00 H new ATOM 0 HA GLU A 163 -8.188 4.665 -6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -5.418 5.265 -6.556 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -6.094 4.038 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -7.577 5.751 -8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -6.937 6.982 -7.603 1.00 0.00 H new ATOM 703 N GLY A 164 -8.184 2.355 -5.519 1.00 0.00 N ATOM 704 CA GLY A 164 -7.551 1.120 -4.981 1.00 0.00 C ATOM 705 C GLY A 164 -5.971 0.906 -4.950 1.00 0.00 C ATOM 706 O GLY A 164 -5.528 -0.232 -5.099 1.00 0.00 O ATOM 0 H GLY A 164 -9.086 2.289 -5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -7.899 1.014 -3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -7.967 0.286 -5.546 1.00 0.00 H new ATOM 710 N GLU A 165 -5.105 1.968 -4.717 1.00 0.00 N ATOM 711 CA GLU A 165 -3.717 1.954 -4.384 1.00 0.00 C ATOM 712 C GLU A 165 -3.637 2.911 -3.201 1.00 0.00 C ATOM 713 O GLU A 165 -4.463 3.818 -3.048 1.00 0.00 O ATOM 714 CB GLU A 165 -2.899 2.454 -5.596 1.00 0.00 C ATOM 715 CG GLU A 165 -1.381 2.487 -5.400 1.00 0.00 C ATOM 716 CD GLU A 165 -0.715 2.784 -6.742 1.00 0.00 C ATOM 717 OE1 GLU A 165 -0.749 1.887 -7.628 1.00 0.00 O ATOM 718 OE2 GLU A 165 -0.167 3.907 -6.906 1.00 0.00 O ATOM 0 H GLU A 165 -5.450 2.926 -4.777 1.00 0.00 H new ATOM 0 HA GLU A 165 -3.317 0.970 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 165 -3.123 1.816 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 165 -3.237 3.459 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 165 -1.112 3.249 -4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 165 -1.031 1.532 -5.009 1.00 0.00 H new ATOM 725 N ILE A 166 -2.652 2.706 -2.291 1.00 0.00 N ATOM 726 CA ILE A 166 -2.579 3.440 -1.043 1.00 0.00 C ATOM 727 C ILE A 166 -1.485 4.461 -1.149 1.00 0.00 C ATOM 728 O ILE A 166 -0.562 4.308 -1.945 1.00 0.00 O ATOM 729 CB ILE A 166 -2.333 2.565 0.179 1.00 0.00 C ATOM 730 CG1 ILE A 166 -1.071 1.676 0.077 1.00 0.00 C ATOM 731 CG2 ILE A 166 -3.609 1.739 0.427 1.00 0.00 C ATOM 732 CD1 ILE A 166 -0.765 0.905 1.368 1.00 0.00 C ATOM 0 H ILE A 166 -1.900 2.028 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 166 -3.554 3.904 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 166 -2.123 3.211 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 166 -1.200 0.966 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 166 -0.215 2.301 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 166 -3.465 1.100 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 166 -4.449 2.411 0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 166 -3.818 1.121 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 166 0.132 0.302 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 166 -0.604 1.610 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 166 -1.605 0.255 1.611 1.00 0.00 H new ATOM 744 N TYR A 167 -1.594 5.540 -0.338 1.00 0.00 N ATOM 745 CA TYR A 167 -0.644 6.628 -0.293 1.00 0.00 C ATOM 746 C TYR A 167 -0.646 7.056 1.146 1.00 0.00 C ATOM 747 O TYR A 167 -1.710 7.068 1.763 1.00 0.00 O ATOM 748 CB TYR A 167 -1.058 7.877 -1.119 1.00 0.00 C ATOM 749 CG TYR A 167 -1.360 7.511 -2.547 1.00 0.00 C ATOM 750 CD1 TYR A 167 -0.359 6.979 -3.375 1.00 0.00 C ATOM 751 CD2 TYR A 167 -2.654 7.679 -3.071 1.00 0.00 C ATOM 752 CE1 TYR A 167 -0.641 6.617 -4.697 1.00 0.00 C ATOM 753 CE2 TYR A 167 -2.942 7.316 -4.392 1.00 0.00 C ATOM 754 CZ TYR A 167 -1.935 6.780 -5.206 1.00 0.00 C ATOM 755 OH TYR A 167 -2.227 6.401 -6.534 1.00 0.00 O ATOM 0 H TYR A 167 -2.371 5.661 0.311 1.00 0.00 H new ATOM 0 HA TYR A 167 0.307 6.283 -0.700 1.00 0.00 H new ATOM 0 HB2 TYR A 167 -1.935 8.341 -0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 167 -0.257 8.616 -1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 167 0.640 6.848 -2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 167 -3.434 8.092 -2.448 1.00 0.00 H new ATOM 0 HE1 TYR A 167 0.139 6.212 -5.324 1.00 0.00 H new ATOM 0 HE2 TYR A 167 -3.940 7.449 -4.784 1.00 0.00 H new ATOM 0 HH TYR A 167 -3.106 6.751 -6.788 1.00 0.00 H new ATOM 765 N CYS A 168 0.525 7.406 1.743 1.00 0.00 N ATOM 766 CA CYS A 168 0.572 7.755 3.149 1.00 0.00 C ATOM 767 C CYS A 168 0.320 9.228 3.292 1.00 0.00 C ATOM 768 O CYS A 168 0.153 9.937 2.303 1.00 0.00 O ATOM 769 CB CYS A 168 1.804 7.238 3.960 1.00 0.00 C ATOM 770 SG CYS A 168 3.408 8.112 3.869 1.00 0.00 S ATOM 0 H CYS A 168 1.424 7.447 1.263 1.00 0.00 H new ATOM 0 HA CYS A 168 -0.229 7.197 3.634 1.00 0.00 H new ATOM 0 HB2 CYS A 168 1.511 7.212 5.009 1.00 0.00 H new ATOM 0 HB3 CYS A 168 1.981 6.207 3.653 1.00 0.00 H new ATOM 0 HG CYS A 168 3.499 8.735 2.731 1.00 0.00 H new ATOM 775 N LYS A 169 0.235 9.706 4.552 1.00 0.00 N ATOM 776 CA LYS A 169 -0.273 11.015 4.883 1.00 0.00 C ATOM 777 C LYS A 169 0.682 12.105 4.481 1.00 0.00 C ATOM 778 O LYS A 169 0.255 13.170 4.036 1.00 0.00 O ATOM 779 CB LYS A 169 -0.558 11.146 6.397 1.00 0.00 C ATOM 780 CG LYS A 169 -1.564 10.096 6.898 1.00 0.00 C ATOM 781 CD LYS A 169 -1.872 10.175 8.402 1.00 0.00 C ATOM 782 CE LYS A 169 -2.660 11.426 8.814 1.00 0.00 C ATOM 783 NZ LYS A 169 -2.985 11.393 10.259 1.00 0.00 N ATOM 0 H LYS A 169 0.528 9.168 5.368 1.00 0.00 H new ATOM 0 HA LYS A 169 -1.202 11.128 4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 169 0.376 11.043 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -0.944 12.144 6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -2.495 10.210 6.343 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -1.177 9.103 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -2.437 9.290 8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -0.934 10.151 8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -2.077 12.319 8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -3.579 11.490 8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -3.518 12.249 10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -3.561 10.552 10.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -2.105 11.355 10.812 1.00 0.00 H new ATOM 797 N GLY A 170 2.004 11.848 4.618 1.00 0.00 N ATOM 798 CA GLY A 170 3.038 12.826 4.383 1.00 0.00 C ATOM 799 C GLY A 170 3.224 13.116 2.923 1.00 0.00 C ATOM 800 O GLY A 170 3.420 14.269 2.545 1.00 0.00 O ATOM 0 H GLY A 170 2.365 10.936 4.900 1.00 0.00 H new ATOM 0 HA2 GLY A 170 2.788 13.749 4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 170 3.978 12.467 4.803 1.00 0.00 H new ATOM 804 N CYS A 171 3.178 12.069 2.068 1.00 0.00 N ATOM 805 CA CYS A 171 3.460 12.180 0.656 1.00 0.00 C ATOM 806 C CYS A 171 2.245 12.589 -0.134 1.00 0.00 C ATOM 807 O CYS A 171 2.381 13.131 -1.229 1.00 0.00 O ATOM 808 CB CYS A 171 4.045 10.872 0.068 1.00 0.00 C ATOM 809 SG CYS A 171 3.071 9.379 0.410 1.00 0.00 S ATOM 0 H CYS A 171 2.939 11.122 2.362 1.00 0.00 H new ATOM 0 HA CYS A 171 4.213 12.963 0.567 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.140 10.987 -1.012 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.051 10.731 0.464 1.00 0.00 H new ATOM 814 N TYR A 172 1.026 12.350 0.407 1.00 0.00 N ATOM 815 CA TYR A 172 -0.209 12.717 -0.248 1.00 0.00 C ATOM 816 C TYR A 172 -0.539 14.154 0.091 1.00 0.00 C ATOM 817 O TYR A 172 -1.307 14.800 -0.619 1.00 0.00 O ATOM 818 CB TYR A 172 -1.387 11.787 0.148 1.00 0.00 C ATOM 819 CG TYR A 172 -2.513 11.881 -0.850 1.00 0.00 C ATOM 820 CD1 TYR A 172 -2.398 11.253 -2.102 1.00 0.00 C ATOM 821 CD2 TYR A 172 -3.677 12.615 -0.563 1.00 0.00 C ATOM 822 CE1 TYR A 172 -3.419 11.363 -3.054 1.00 0.00 C ATOM 823 CE2 TYR A 172 -4.699 12.731 -1.513 1.00 0.00 C ATOM 824 CZ TYR A 172 -4.568 12.110 -2.763 1.00 0.00 C ATOM 825 OH TYR A 172 -5.585 12.251 -3.732 1.00 0.00 O ATOM 0 H TYR A 172 0.894 11.896 1.311 1.00 0.00 H new ATOM 0 HA TYR A 172 -0.068 12.605 -1.323 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -1.036 10.757 0.209 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -1.752 12.059 1.139 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -1.512 10.679 -2.332 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -3.784 13.094 0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -3.321 10.873 -4.011 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -5.588 13.299 -1.283 1.00 0.00 H new ATOM 0 HH TYR A 172 -6.311 12.799 -3.367 1.00 0.00 H new ATOM 835 N ALA A 173 0.074 14.701 1.172 1.00 0.00 N ATOM 836 CA ALA A 173 -0.038 16.095 1.543 1.00 0.00 C ATOM 837 C ALA A 173 0.743 16.959 0.583 1.00 0.00 C ATOM 838 O ALA A 173 0.365 18.100 0.322 1.00 0.00 O ATOM 839 CB ALA A 173 0.496 16.367 2.962 1.00 0.00 C ATOM 0 H ALA A 173 0.663 14.160 1.805 1.00 0.00 H new ATOM 0 HA ALA A 173 -1.100 16.337 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 173 0.390 17.427 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -0.072 15.779 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 173 1.548 16.088 3.015 1.00 0.00 H new ATOM 845 N LYS A 174 1.842 16.403 0.013 1.00 0.00 N ATOM 846 CA LYS A 174 2.666 17.050 -0.982 1.00 0.00 C ATOM 847 C LYS A 174 1.961 17.032 -2.313 1.00 0.00 C ATOM 848 O LYS A 174 2.035 17.997 -3.073 1.00 0.00 O ATOM 849 CB LYS A 174 4.023 16.333 -1.169 1.00 0.00 C ATOM 850 CG LYS A 174 4.887 16.325 0.101 1.00 0.00 C ATOM 851 CD LYS A 174 6.145 15.455 -0.039 1.00 0.00 C ATOM 852 CE LYS A 174 6.933 15.335 1.273 1.00 0.00 C ATOM 853 NZ LYS A 174 8.114 14.458 1.103 1.00 0.00 N ATOM 0 H LYS A 174 2.169 15.467 0.254 1.00 0.00 H new ATOM 0 HA LYS A 174 2.843 18.068 -0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 174 3.842 15.305 -1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 174 4.575 16.820 -1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 174 5.182 17.347 0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 174 4.291 15.961 0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 174 5.857 14.460 -0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 174 6.791 15.879 -0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 174 7.254 16.324 1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 174 6.287 14.934 2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 8.630 14.393 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 7.803 13.509 0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 8.739 14.856 0.373 1.00 0.00 H new ATOM 867 N ASN A 175 1.250 15.917 -2.610 1.00 0.00 N ATOM 868 CA ASN A 175 0.539 15.710 -3.848 1.00 0.00 C ATOM 869 C ASN A 175 -0.696 16.629 -3.891 1.00 0.00 C ATOM 870 O ASN A 175 -1.590 16.486 -3.017 1.00 0.00 O ATOM 871 CB ASN A 175 0.104 14.227 -3.998 1.00 0.00 C ATOM 872 CG ASN A 175 -0.504 13.946 -5.381 1.00 0.00 C ATOM 873 OD1 ASN A 175 0.149 14.160 -6.409 1.00 0.00 O ATOM 874 ND2 ASN A 175 -1.780 13.451 -5.389 1.00 0.00 N ATOM 0 H ASN A 175 1.167 15.131 -1.965 1.00 0.00 H new ATOM 0 HA ASN A 175 1.204 15.953 -4.677 1.00 0.00 H new ATOM 0 HB2 ASN A 175 0.966 13.578 -3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 175 -0.624 13.982 -3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -2.239 13.239 -6.275 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -2.272 13.294 -4.509 1.00 0.00 H new TER 881 ASN A 175 HETATM 882 ZN ZN A 195 4.824 -8.337 2.508 1.00 0.00 ZN HETATM 883 ZN ZN A 196 4.382 8.157 2.216 1.00 0.00 ZN