USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 189 TYR OH : rot -109:sc= 1.17 USER MOD Set 1.2: A 193 GLN : amide:sc= 0.708 K(o=1.9,f=-2.6) USER MOD Set 2.1: A 171 CYS SG : rot 126:sc= 0.0184 USER MOD Set 2.2: A 177 CYS SG : rot -3:sc= 0.558 USER MOD Set 2.3: A 187 CYS SG : rot 100:sc= -0.335 USER MOD Set 2.4: A 190 CYS SG : rot 119:sc= -0.0462 USER MOD Set 3.1: A 162 THR OG1 : rot 80:sc= 2.21 USER MOD Set 3.2: A 169 TYR OH : rot 174:sc= 1.23 USER MOD Set 4.1: A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 150 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 135 CYS SG : rot -145:sc= 1.05 USER MOD Set 5.2: A 138 CYS SG : rot -100:sc= 0.653 USER MOD Set 5.3: A 151 SER OG : rot 48:sc= 1.01 USER MOD Set 5.4: A 152 CYS SG : rot -63:sc= 0.435 USER MOD Set 5.5: A 155 CYS SG : rot -100:sc= 0.435 USER MOD Single : A 133 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.67) USER MOD Single : A 142 SER OG : rot 90:sc= 0.889 USER MOD Single : A 143 SER OG : rot -90:sc= 0.29 USER MOD Single : A 146 HIS : no HE2:sc= -0.331 K(o=-0.33,f=-5.5!) USER MOD Single : A 147 TYR OH : rot -177:sc= 1.07 USER MOD Single : A 156 LYS NZ :NH3+ 171:sc=-0.00398 (180deg=-0.133) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0287) USER MOD Single : A 168 THR OG1 : rot 61:sc= 0.415 USER MOD Single : A 170 THR OG1 : rot 10:sc= 0.553 USER MOD Single : A 174 ASN : amide:sc= 0.868 K(o=0.87,f=-0.0011) USER MOD Single : A 175 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 GLN : amide:sc= -0.0699 X(o=-0.07,f=-0.0058) USER MOD Single : A 192 TYR OH : rot 150:sc= 2.12 USER MOD Single : A 194 LYS NZ :NH3+ -155:sc= 0.583 (180deg=0.341) USER MOD Single : A 198 MET CE :methyl -168:sc= -0.0835 (180deg=-0.276) USER MOD Single : A 200 MET CE :methyl -161:sc= -0.599 (180deg=-1.11) USER MOD Single : A 201 LYS NZ :NH3+ 170:sc= -0.0116 (180deg=-0.146) USER MOD Single : A 206 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 57 N HIS A 133 -3.711 -3.347 16.131 1.00 0.00 N ATOM 58 CA HIS A 133 -2.829 -3.011 15.015 1.00 0.00 C ATOM 59 C HIS A 133 -3.300 -3.704 13.735 1.00 0.00 C ATOM 60 O HIS A 133 -2.589 -4.540 13.168 1.00 0.00 O ATOM 61 CB HIS A 133 -1.351 -3.336 15.303 1.00 0.00 C ATOM 62 CG HIS A 133 -0.664 -2.537 16.384 1.00 0.00 C ATOM 63 ND1 HIS A 133 -1.161 -1.448 17.063 1.00 0.00 N ATOM 64 CD2 HIS A 133 0.635 -2.705 16.782 1.00 0.00 C ATOM 65 CE1 HIS A 133 -0.197 -1.005 17.887 1.00 0.00 C ATOM 66 NE2 HIS A 133 0.918 -1.741 17.752 1.00 0.00 N ATOM 0 HA HIS A 133 -2.887 -1.931 14.878 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -1.283 -4.391 15.569 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -0.790 -3.204 14.378 1.00 0.00 H new ATOM 0 HD2 HIS A 133 1.321 -3.452 16.411 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -0.304 -0.171 18.565 1.00 0.00 H new ATOM 0 HE2 HIS A 133 1.796 -1.620 18.257 1.00 0.00 H new ATOM 74 N ILE A 134 -4.473 -3.320 13.227 1.00 0.00 N ATOM 75 CA ILE A 134 -4.889 -3.796 11.914 1.00 0.00 C ATOM 76 C ILE A 134 -4.103 -3.016 10.857 1.00 0.00 C ATOM 77 O ILE A 134 -3.660 -1.892 11.095 1.00 0.00 O ATOM 78 CB ILE A 134 -6.411 -3.736 11.693 1.00 0.00 C ATOM 79 CG1 ILE A 134 -7.149 -2.497 12.230 1.00 0.00 C ATOM 80 CG2 ILE A 134 -7.037 -5.006 12.273 1.00 0.00 C ATOM 81 CD1 ILE A 134 -6.662 -1.176 11.631 1.00 0.00 C ATOM 0 H ILE A 134 -5.133 -2.698 13.693 1.00 0.00 H new ATOM 0 HA ILE A 134 -4.658 -4.858 11.833 1.00 0.00 H new ATOM 0 HB ILE A 134 -6.535 -3.657 10.613 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -8.215 -2.605 12.028 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -7.033 -2.458 13.313 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -8.117 -4.980 12.125 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -6.622 -5.879 11.769 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -6.818 -5.065 13.339 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -7.231 -0.351 12.059 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -5.604 -1.043 11.856 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -6.804 -1.192 10.550 1.00 0.00 H new ATOM 93 N CYS A 135 -3.892 -3.629 9.697 1.00 0.00 N ATOM 94 CA CYS A 135 -3.151 -3.031 8.610 1.00 0.00 C ATOM 95 C CYS A 135 -3.978 -1.881 8.062 1.00 0.00 C ATOM 96 O CYS A 135 -5.099 -2.111 7.619 1.00 0.00 O ATOM 97 CB CYS A 135 -2.891 -4.072 7.514 1.00 0.00 C ATOM 98 SG CYS A 135 -2.086 -3.407 6.035 1.00 0.00 S ATOM 0 H CYS A 135 -4.238 -4.566 9.490 1.00 0.00 H new ATOM 0 HA CYS A 135 -2.186 -2.666 8.961 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -2.270 -4.868 7.925 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -3.840 -4.524 7.225 1.00 0.00 H new ATOM 0 HG CYS A 135 -2.534 -4.024 4.982 1.00 0.00 H new ATOM 103 N ALA A 136 -3.448 -0.661 8.075 1.00 0.00 N ATOM 104 CA ALA A 136 -4.183 0.495 7.575 1.00 0.00 C ATOM 105 C ALA A 136 -4.806 0.242 6.196 1.00 0.00 C ATOM 106 O ALA A 136 -5.952 0.599 5.944 1.00 0.00 O ATOM 107 CB ALA A 136 -3.242 1.697 7.541 1.00 0.00 C ATOM 0 H ALA A 136 -2.514 -0.448 8.426 1.00 0.00 H new ATOM 0 HA ALA A 136 -5.016 0.694 8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.779 2.569 7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.874 1.900 8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.400 1.481 6.883 1.00 0.00 H new ATOM 113 N ILE A 137 -4.026 -0.357 5.296 1.00 0.00 N ATOM 114 CA ILE A 137 -4.409 -0.585 3.908 1.00 0.00 C ATOM 115 C ILE A 137 -5.511 -1.641 3.724 1.00 0.00 C ATOM 116 O ILE A 137 -6.483 -1.362 3.024 1.00 0.00 O ATOM 117 CB ILE A 137 -3.145 -0.887 3.081 1.00 0.00 C ATOM 118 CG1 ILE A 137 -2.172 0.311 3.127 1.00 0.00 C ATOM 119 CG2 ILE A 137 -3.488 -1.187 1.613 1.00 0.00 C ATOM 120 CD1 ILE A 137 -0.720 -0.137 2.964 1.00 0.00 C ATOM 0 H ILE A 137 -3.093 -0.703 5.519 1.00 0.00 H new ATOM 0 HA ILE A 137 -4.870 0.330 3.536 1.00 0.00 H new ATOM 0 HB ILE A 137 -2.676 -1.767 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -2.426 1.018 2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.287 0.838 4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -2.572 -1.395 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.147 -2.054 1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -3.989 -0.325 1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -0.064 0.733 3.001 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -0.458 -0.823 3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -0.600 -0.641 2.005 1.00 0.00 H new ATOM 132 N CYS A 138 -5.349 -2.856 4.273 1.00 0.00 N ATOM 133 CA CYS A 138 -6.280 -3.972 4.044 1.00 0.00 C ATOM 134 C CYS A 138 -6.960 -4.540 5.293 1.00 0.00 C ATOM 135 O CYS A 138 -7.762 -5.465 5.192 1.00 0.00 O ATOM 136 CB CYS A 138 -5.566 -5.078 3.255 1.00 0.00 C ATOM 137 SG CYS A 138 -4.119 -5.833 4.042 1.00 0.00 S ATOM 0 H CYS A 138 -4.570 -3.092 4.887 1.00 0.00 H new ATOM 0 HA CYS A 138 -7.104 -3.552 3.468 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -6.289 -5.866 3.044 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -5.255 -4.665 2.295 1.00 0.00 H new ATOM 0 HG CYS A 138 -3.035 -5.317 3.543 1.00 0.00 H new ATOM 142 N GLY A 139 -6.671 -4.007 6.477 1.00 0.00 N ATOM 143 CA GLY A 139 -7.300 -4.430 7.719 1.00 0.00 C ATOM 144 C GLY A 139 -6.838 -5.795 8.240 1.00 0.00 C ATOM 145 O GLY A 139 -7.359 -6.256 9.252 1.00 0.00 O ATOM 0 H GLY A 139 -5.986 -3.261 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -7.103 -3.679 8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -8.380 -4.459 7.572 1.00 0.00 H new ATOM 149 N ASP A 140 -5.862 -6.446 7.596 1.00 0.00 N ATOM 150 CA ASP A 140 -5.329 -7.721 8.073 1.00 0.00 C ATOM 151 C ASP A 140 -4.497 -7.463 9.333 1.00 0.00 C ATOM 152 O ASP A 140 -4.159 -6.321 9.620 1.00 0.00 O ATOM 153 CB ASP A 140 -4.447 -8.363 6.994 1.00 0.00 C ATOM 154 CG ASP A 140 -5.263 -9.179 6.002 1.00 0.00 C ATOM 155 OD1 ASP A 140 -5.575 -10.341 6.343 1.00 0.00 O ATOM 156 OD2 ASP A 140 -5.557 -8.645 4.911 1.00 0.00 O ATOM 0 H ASP A 140 -5.426 -6.106 6.739 1.00 0.00 H new ATOM 0 HA ASP A 140 -6.151 -8.400 8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.902 -7.584 6.461 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.704 -9.005 7.468 1.00 0.00 H new ATOM 161 N ARG A 141 -4.118 -8.502 10.079 1.00 0.00 N ATOM 162 CA ARG A 141 -3.259 -8.314 11.242 1.00 0.00 C ATOM 163 C ARG A 141 -1.912 -7.748 10.777 1.00 0.00 C ATOM 164 O ARG A 141 -1.268 -8.349 9.917 1.00 0.00 O ATOM 165 CB ARG A 141 -3.088 -9.653 11.970 1.00 0.00 C ATOM 166 CG ARG A 141 -2.126 -9.536 13.160 1.00 0.00 C ATOM 167 CD ARG A 141 -2.181 -10.791 14.038 1.00 0.00 C ATOM 168 NE ARG A 141 -3.490 -10.929 14.690 1.00 0.00 N ATOM 169 CZ ARG A 141 -3.848 -11.942 15.489 1.00 0.00 C ATOM 170 NH1 ARG A 141 -3.003 -12.952 15.721 1.00 0.00 N ATOM 171 NH2 ARG A 141 -5.058 -11.929 16.057 1.00 0.00 N ATOM 0 H ARG A 141 -4.389 -9.469 9.900 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.706 -7.608 11.941 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -4.059 -10.003 12.321 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -2.713 -10.401 11.272 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.109 -9.387 12.797 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -2.384 -8.660 13.755 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -1.981 -11.673 13.429 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.398 -10.742 14.795 1.00 0.00 H new ATOM 0 HE ARG A 141 -4.179 -10.197 14.521 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -2.079 -12.954 15.288 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -3.282 -13.721 16.331 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -5.696 -11.153 15.880 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -5.343 -12.695 16.668 1.00 0.00 H new ATOM 185 N SER A 142 -1.482 -6.602 11.316 1.00 0.00 N ATOM 186 CA SER A 142 -0.210 -6.023 10.912 1.00 0.00 C ATOM 187 C SER A 142 0.964 -6.904 11.331 1.00 0.00 C ATOM 188 O SER A 142 0.930 -7.547 12.378 1.00 0.00 O ATOM 189 CB SER A 142 -0.028 -4.641 11.544 1.00 0.00 C ATOM 190 OG SER A 142 -1.039 -3.778 11.082 1.00 0.00 O ATOM 0 H SER A 142 -1.991 -6.069 12.021 1.00 0.00 H new ATOM 0 HA SER A 142 -0.225 -5.942 9.825 1.00 0.00 H new ATOM 0 HB2 SER A 142 -0.069 -4.718 12.631 1.00 0.00 H new ATOM 0 HB3 SER A 142 0.953 -4.239 11.289 1.00 0.00 H new ATOM 0 HG SER A 142 -1.813 -3.831 11.681 1.00 0.00 H new ATOM 196 N SER A 143 2.034 -6.847 10.542 1.00 0.00 N ATOM 197 CA SER A 143 3.306 -7.471 10.849 1.00 0.00 C ATOM 198 C SER A 143 4.039 -6.531 11.808 1.00 0.00 C ATOM 199 O SER A 143 4.719 -6.985 12.723 1.00 0.00 O ATOM 200 CB SER A 143 4.107 -7.705 9.564 1.00 0.00 C ATOM 201 OG SER A 143 3.338 -8.451 8.638 1.00 0.00 O ATOM 0 H SER A 143 2.034 -6.352 9.650 1.00 0.00 H new ATOM 0 HA SER A 143 3.170 -8.448 11.313 1.00 0.00 H new ATOM 0 HB2 SER A 143 4.391 -6.749 9.125 1.00 0.00 H new ATOM 0 HB3 SER A 143 5.030 -8.237 9.794 1.00 0.00 H new ATOM 0 HG SER A 143 3.498 -9.408 8.776 1.00 0.00 H new ATOM 207 N GLY A 144 3.889 -5.215 11.608 1.00 0.00 N ATOM 208 CA GLY A 144 4.488 -4.222 12.478 1.00 0.00 C ATOM 209 C GLY A 144 4.184 -2.818 11.967 1.00 0.00 C ATOM 210 O GLY A 144 3.392 -2.641 11.038 1.00 0.00 O ATOM 0 H GLY A 144 3.349 -4.820 10.838 1.00 0.00 H new ATOM 0 HA2 GLY A 144 4.105 -4.338 13.492 1.00 0.00 H new ATOM 0 HA3 GLY A 144 5.566 -4.373 12.526 1.00 0.00 H new ATOM 214 N LYS A 145 4.838 -1.825 12.570 1.00 0.00 N ATOM 215 CA LYS A 145 4.730 -0.436 12.162 1.00 0.00 C ATOM 216 C LYS A 145 5.674 -0.272 10.973 1.00 0.00 C ATOM 217 O LYS A 145 6.855 -0.608 11.068 1.00 0.00 O ATOM 218 CB LYS A 145 5.068 0.475 13.348 1.00 0.00 C ATOM 219 CG LYS A 145 4.539 1.899 13.140 1.00 0.00 C ATOM 220 CD LYS A 145 4.704 2.704 14.435 1.00 0.00 C ATOM 221 CE LYS A 145 4.119 4.111 14.281 1.00 0.00 C ATOM 222 NZ LYS A 145 4.168 4.852 15.552 1.00 0.00 N ATOM 0 H LYS A 145 5.463 -1.970 13.363 1.00 0.00 H new ATOM 0 HA LYS A 145 3.722 -0.154 11.857 1.00 0.00 H new ATOM 0 HB2 LYS A 145 4.641 0.058 14.260 1.00 0.00 H new ATOM 0 HB3 LYS A 145 6.149 0.505 13.487 1.00 0.00 H new ATOM 0 HG2 LYS A 145 5.080 2.384 12.327 1.00 0.00 H new ATOM 0 HG3 LYS A 145 3.489 1.869 12.850 1.00 0.00 H new ATOM 0 HD2 LYS A 145 4.207 2.187 15.256 1.00 0.00 H new ATOM 0 HD3 LYS A 145 5.761 2.771 14.694 1.00 0.00 H new ATOM 0 HE2 LYS A 145 4.674 4.657 13.518 1.00 0.00 H new ATOM 0 HE3 LYS A 145 3.087 4.043 13.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 3.765 5.801 15.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 3.618 4.342 16.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 5.156 4.937 15.866 1.00 0.00 H new ATOM 236 N HIS A 146 5.152 0.161 9.826 1.00 0.00 N ATOM 237 CA HIS A 146 5.889 0.282 8.582 1.00 0.00 C ATOM 238 C HIS A 146 5.603 1.658 7.994 1.00 0.00 C ATOM 239 O HIS A 146 4.453 2.082 7.941 1.00 0.00 O ATOM 240 CB HIS A 146 5.438 -0.831 7.628 1.00 0.00 C ATOM 241 CG HIS A 146 5.585 -2.227 8.193 1.00 0.00 C ATOM 242 ND1 HIS A 146 6.461 -2.620 9.182 1.00 0.00 N ATOM 243 CD2 HIS A 146 4.864 -3.332 7.824 1.00 0.00 C ATOM 244 CE1 HIS A 146 6.280 -3.936 9.387 1.00 0.00 C ATOM 245 NE2 HIS A 146 5.325 -4.416 8.575 1.00 0.00 N ATOM 0 H HIS A 146 4.176 0.444 9.741 1.00 0.00 H new ATOM 0 HA HIS A 146 6.962 0.180 8.745 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.394 -0.666 7.363 1.00 0.00 H new ATOM 0 HB3 HIS A 146 6.016 -0.761 6.706 1.00 0.00 H new ATOM 0 HD1 HIS A 146 7.126 -2.020 9.670 1.00 0.00 H new ATOM 0 HD2 HIS A 146 4.078 -3.360 7.084 1.00 0.00 H new ATOM 0 HE1 HIS A 146 6.828 -4.526 10.107 1.00 0.00 H new ATOM 253 N TYR A 147 6.651 2.376 7.585 1.00 0.00 N ATOM 254 CA TYR A 147 6.535 3.715 7.012 1.00 0.00 C ATOM 255 C TYR A 147 5.685 4.643 7.895 1.00 0.00 C ATOM 256 O TYR A 147 5.003 5.532 7.389 1.00 0.00 O ATOM 257 CB TYR A 147 5.987 3.624 5.580 1.00 0.00 C ATOM 258 CG TYR A 147 6.557 2.496 4.739 1.00 0.00 C ATOM 259 CD1 TYR A 147 7.950 2.349 4.585 1.00 0.00 C ATOM 260 CD2 TYR A 147 5.692 1.556 4.153 1.00 0.00 C ATOM 261 CE1 TYR A 147 8.470 1.284 3.828 1.00 0.00 C ATOM 262 CE2 TYR A 147 6.213 0.491 3.404 1.00 0.00 C ATOM 263 CZ TYR A 147 7.600 0.368 3.218 1.00 0.00 C ATOM 264 OH TYR A 147 8.104 -0.644 2.461 1.00 0.00 O ATOM 0 H TYR A 147 7.612 2.040 7.644 1.00 0.00 H new ATOM 0 HA TYR A 147 7.529 4.160 6.971 1.00 0.00 H new ATOM 0 HB2 TYR A 147 4.904 3.507 5.629 1.00 0.00 H new ATOM 0 HB3 TYR A 147 6.183 4.569 5.073 1.00 0.00 H new ATOM 0 HD1 TYR A 147 8.621 3.057 5.050 1.00 0.00 H new ATOM 0 HD2 TYR A 147 4.624 1.654 4.280 1.00 0.00 H new ATOM 0 HE1 TYR A 147 9.538 1.171 3.716 1.00 0.00 H new ATOM 0 HE2 TYR A 147 5.545 -0.238 2.968 1.00 0.00 H new ATOM 0 HH TYR A 147 7.367 -1.160 2.073 1.00 0.00 H new ATOM 274 N GLY A 148 5.744 4.433 9.216 1.00 0.00 N ATOM 275 CA GLY A 148 5.034 5.226 10.207 1.00 0.00 C ATOM 276 C GLY A 148 3.642 4.710 10.586 1.00 0.00 C ATOM 277 O GLY A 148 3.049 5.278 11.500 1.00 0.00 O ATOM 0 H GLY A 148 6.303 3.686 9.628 1.00 0.00 H new ATOM 0 HA2 GLY A 148 5.642 5.278 11.110 1.00 0.00 H new ATOM 0 HA3 GLY A 148 4.936 6.244 9.830 1.00 0.00 H new ATOM 281 N VAL A 149 3.097 3.674 9.931 1.00 0.00 N ATOM 282 CA VAL A 149 1.745 3.185 10.222 1.00 0.00 C ATOM 283 C VAL A 149 1.708 1.651 10.261 1.00 0.00 C ATOM 284 O VAL A 149 2.491 0.981 9.594 1.00 0.00 O ATOM 285 CB VAL A 149 0.771 3.775 9.185 1.00 0.00 C ATOM 286 CG1 VAL A 149 -0.654 3.234 9.343 1.00 0.00 C ATOM 287 CG2 VAL A 149 0.725 5.309 9.249 1.00 0.00 C ATOM 0 H VAL A 149 3.576 3.158 9.193 1.00 0.00 H new ATOM 0 HA VAL A 149 1.434 3.516 11.213 1.00 0.00 H new ATOM 0 HB VAL A 149 1.159 3.464 8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -1.299 3.682 8.588 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.648 2.151 9.219 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -1.030 3.483 10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 149 0.026 5.684 8.501 1.00 0.00 H new ATOM 0 HG22 VAL A 149 0.398 5.622 10.240 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.718 5.711 9.051 1.00 0.00 H new ATOM 297 N TYR A 150 0.802 1.075 11.057 1.00 0.00 N ATOM 298 CA TYR A 150 0.662 -0.370 11.199 1.00 0.00 C ATOM 299 C TYR A 150 0.274 -1.016 9.865 1.00 0.00 C ATOM 300 O TYR A 150 -0.702 -0.602 9.229 1.00 0.00 O ATOM 301 CB TYR A 150 -0.335 -0.682 12.321 1.00 0.00 C ATOM 302 CG TYR A 150 0.058 -0.049 13.643 1.00 0.00 C ATOM 303 CD1 TYR A 150 1.198 -0.512 14.326 1.00 0.00 C ATOM 304 CD2 TYR A 150 -0.583 1.126 14.075 1.00 0.00 C ATOM 305 CE1 TYR A 150 1.753 0.253 15.366 1.00 0.00 C ATOM 306 CE2 TYR A 150 -0.049 1.871 15.142 1.00 0.00 C ATOM 307 CZ TYR A 150 1.133 1.445 15.771 1.00 0.00 C ATOM 308 OH TYR A 150 1.690 2.194 16.764 1.00 0.00 O ATOM 0 H TYR A 150 0.141 1.607 11.624 1.00 0.00 H new ATOM 0 HA TYR A 150 1.622 -0.804 11.480 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -1.324 -0.327 12.032 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -0.408 -1.762 12.447 1.00 0.00 H new ATOM 0 HD1 TYR A 150 1.646 -1.455 14.051 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -1.487 1.457 13.586 1.00 0.00 H new ATOM 0 HE1 TYR A 150 2.658 -0.077 15.854 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -0.547 2.769 15.477 1.00 0.00 H new ATOM 0 HH TYR A 150 1.138 2.988 16.924 1.00 0.00 H new ATOM 318 N SER A 151 1.055 -2.011 9.423 1.00 0.00 N ATOM 319 CA SER A 151 0.810 -2.704 8.169 1.00 0.00 C ATOM 320 C SER A 151 1.409 -4.110 8.181 1.00 0.00 C ATOM 321 O SER A 151 2.097 -4.498 9.127 1.00 0.00 O ATOM 322 CB SER A 151 1.292 -1.842 7.000 1.00 0.00 C ATOM 323 OG SER A 151 0.981 -2.434 5.756 1.00 0.00 O ATOM 0 H SER A 151 1.872 -2.351 9.931 1.00 0.00 H new ATOM 0 HA SER A 151 -0.262 -2.851 8.038 1.00 0.00 H new ATOM 0 HB2 SER A 151 0.831 -0.856 7.060 1.00 0.00 H new ATOM 0 HB3 SER A 151 2.370 -1.696 7.075 1.00 0.00 H new ATOM 0 HG SER A 151 0.042 -2.714 5.753 1.00 0.00 H new ATOM 329 N CYS A 152 1.128 -4.874 7.121 1.00 0.00 N ATOM 330 CA CYS A 152 1.570 -6.251 6.939 1.00 0.00 C ATOM 331 C CYS A 152 2.656 -6.349 5.865 1.00 0.00 C ATOM 332 O CYS A 152 2.676 -5.550 4.929 1.00 0.00 O ATOM 333 CB CYS A 152 0.376 -7.169 6.650 1.00 0.00 C ATOM 334 SG CYS A 152 -0.632 -6.764 5.199 1.00 0.00 S ATOM 0 H CYS A 152 0.566 -4.534 6.341 1.00 0.00 H new ATOM 0 HA CYS A 152 2.023 -6.594 7.869 1.00 0.00 H new ATOM 0 HB2 CYS A 152 0.750 -8.186 6.531 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -0.273 -7.168 7.526 1.00 0.00 H new ATOM 0 HG CYS A 152 -1.180 -5.597 5.363 1.00 0.00 H new ATOM 339 N GLU A 153 3.562 -7.323 6.007 1.00 0.00 N ATOM 340 CA GLU A 153 4.688 -7.544 5.100 1.00 0.00 C ATOM 341 C GLU A 153 4.328 -7.417 3.609 1.00 0.00 C ATOM 342 O GLU A 153 5.059 -6.780 2.850 1.00 0.00 O ATOM 343 CB GLU A 153 5.438 -8.850 5.432 1.00 0.00 C ATOM 344 CG GLU A 153 4.598 -10.080 5.825 1.00 0.00 C ATOM 345 CD GLU A 153 3.598 -10.509 4.762 1.00 0.00 C ATOM 346 OE1 GLU A 153 4.019 -11.247 3.846 1.00 0.00 O ATOM 347 OE2 GLU A 153 2.435 -10.057 4.864 1.00 0.00 O ATOM 0 H GLU A 153 3.530 -7.994 6.775 1.00 0.00 H new ATOM 0 HA GLU A 153 5.381 -6.722 5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 153 6.041 -9.119 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 153 6.129 -8.641 6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 153 5.268 -10.913 6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 153 4.061 -9.861 6.748 1.00 0.00 H new ATOM 354 N GLY A 154 3.213 -8.007 3.176 1.00 0.00 N ATOM 355 CA GLY A 154 2.776 -7.956 1.789 1.00 0.00 C ATOM 356 C GLY A 154 2.585 -6.509 1.341 1.00 0.00 C ATOM 357 O GLY A 154 3.107 -6.088 0.308 1.00 0.00 O ATOM 0 H GLY A 154 2.588 -8.535 3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 154 3.512 -8.446 1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 154 1.841 -8.504 1.676 1.00 0.00 H new ATOM 361 N CYS A 155 1.857 -5.733 2.147 1.00 0.00 N ATOM 362 CA CYS A 155 1.627 -4.322 1.898 1.00 0.00 C ATOM 363 C CYS A 155 2.949 -3.560 1.962 1.00 0.00 C ATOM 364 O CYS A 155 3.192 -2.696 1.123 1.00 0.00 O ATOM 365 CB CYS A 155 0.598 -3.782 2.890 1.00 0.00 C ATOM 366 SG CYS A 155 -1.111 -4.237 2.500 1.00 0.00 S ATOM 0 H CYS A 155 1.410 -6.077 2.997 1.00 0.00 H new ATOM 0 HA CYS A 155 1.220 -4.183 0.896 1.00 0.00 H new ATOM 0 HB2 CYS A 155 0.842 -4.149 3.887 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.675 -2.695 2.922 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.704 -3.238 1.916 1.00 0.00 H new ATOM 371 N LYS A 156 3.806 -3.887 2.934 1.00 0.00 N ATOM 372 CA LYS A 156 5.111 -3.258 3.078 1.00 0.00 C ATOM 373 C LYS A 156 5.902 -3.369 1.771 1.00 0.00 C ATOM 374 O LYS A 156 6.304 -2.356 1.192 1.00 0.00 O ATOM 375 CB LYS A 156 5.888 -3.874 4.249 1.00 0.00 C ATOM 376 CG LYS A 156 7.138 -3.046 4.569 1.00 0.00 C ATOM 377 CD LYS A 156 7.936 -3.707 5.695 1.00 0.00 C ATOM 378 CE LYS A 156 9.198 -2.908 6.044 1.00 0.00 C ATOM 379 NZ LYS A 156 8.882 -1.553 6.531 1.00 0.00 N ATOM 0 H LYS A 156 3.609 -4.596 3.640 1.00 0.00 H new ATOM 0 HA LYS A 156 4.964 -2.201 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 156 5.247 -3.927 5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 156 6.176 -4.896 4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 156 7.760 -2.954 3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 156 6.849 -2.037 4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 156 7.307 -3.799 6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 156 8.216 -4.717 5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 156 9.766 -3.443 6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 156 9.836 -2.836 5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 9.746 -1.105 6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 8.501 -0.983 5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 8.175 -1.613 7.291 1.00 0.00 H new ATOM 393 N GLY A 157 6.127 -4.609 1.326 1.00 0.00 N ATOM 394 CA GLY A 157 6.871 -4.921 0.119 1.00 0.00 C ATOM 395 C GLY A 157 6.202 -4.307 -1.104 1.00 0.00 C ATOM 396 O GLY A 157 6.864 -3.686 -1.935 1.00 0.00 O ATOM 0 H GLY A 157 5.785 -5.438 1.812 1.00 0.00 H new ATOM 0 HA2 GLY A 157 7.891 -4.546 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 157 6.939 -6.002 -0.002 1.00 0.00 H new ATOM 400 N PHE A 158 4.881 -4.476 -1.215 1.00 0.00 N ATOM 401 CA PHE A 158 4.093 -3.918 -2.306 1.00 0.00 C ATOM 402 C PHE A 158 4.353 -2.417 -2.417 1.00 0.00 C ATOM 403 O PHE A 158 4.709 -1.925 -3.486 1.00 0.00 O ATOM 404 CB PHE A 158 2.607 -4.195 -2.056 1.00 0.00 C ATOM 405 CG PHE A 158 1.661 -3.350 -2.888 1.00 0.00 C ATOM 406 CD1 PHE A 158 1.423 -3.680 -4.233 1.00 0.00 C ATOM 407 CD2 PHE A 158 1.136 -2.156 -2.356 1.00 0.00 C ATOM 408 CE1 PHE A 158 0.682 -2.810 -5.050 1.00 0.00 C ATOM 409 CE2 PHE A 158 0.439 -1.264 -3.186 1.00 0.00 C ATOM 410 CZ PHE A 158 0.213 -1.591 -4.533 1.00 0.00 C ATOM 0 H PHE A 158 4.329 -5.009 -0.543 1.00 0.00 H new ATOM 0 HA PHE A 158 4.383 -4.387 -3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 158 2.407 -5.247 -2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 158 2.392 -4.027 -1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 158 1.810 -4.603 -4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 158 1.270 -1.927 -1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.473 -3.078 -6.075 1.00 0.00 H new ATOM 0 HE2 PHE A 158 0.077 -0.327 -2.789 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.322 -0.904 -5.172 1.00 0.00 H new ATOM 420 N PHE A 159 4.173 -1.691 -1.312 1.00 0.00 N ATOM 421 CA PHE A 159 4.371 -0.254 -1.278 1.00 0.00 C ATOM 422 C PHE A 159 5.806 0.078 -1.678 1.00 0.00 C ATOM 423 O PHE A 159 6.016 0.949 -2.518 1.00 0.00 O ATOM 424 CB PHE A 159 4.021 0.294 0.104 1.00 0.00 C ATOM 425 CG PHE A 159 4.094 1.806 0.211 1.00 0.00 C ATOM 426 CD1 PHE A 159 3.039 2.599 -0.277 1.00 0.00 C ATOM 427 CD2 PHE A 159 5.181 2.422 0.855 1.00 0.00 C ATOM 428 CE1 PHE A 159 3.037 3.988 -0.052 1.00 0.00 C ATOM 429 CE2 PHE A 159 5.129 3.789 1.171 1.00 0.00 C ATOM 430 CZ PHE A 159 4.062 4.578 0.707 1.00 0.00 C ATOM 0 H PHE A 159 3.886 -2.090 -0.418 1.00 0.00 H new ATOM 0 HA PHE A 159 3.705 0.226 -1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 159 3.014 -0.029 0.366 1.00 0.00 H new ATOM 0 HB3 PHE A 159 4.697 -0.144 0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 159 2.229 2.141 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 159 6.057 1.843 1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 159 2.248 4.601 -0.463 1.00 0.00 H new ATOM 0 HE2 PHE A 159 5.909 4.235 1.771 1.00 0.00 H new ATOM 0 HZ PHE A 159 4.030 5.634 0.933 1.00 0.00 H new ATOM 440 N LYS A 160 6.788 -0.628 -1.106 1.00 0.00 N ATOM 441 CA LYS A 160 8.190 -0.406 -1.437 1.00 0.00 C ATOM 442 C LYS A 160 8.392 -0.492 -2.955 1.00 0.00 C ATOM 443 O LYS A 160 8.820 0.472 -3.586 1.00 0.00 O ATOM 444 CB LYS A 160 9.085 -1.400 -0.669 1.00 0.00 C ATOM 445 CG LYS A 160 10.413 -0.758 -0.244 1.00 0.00 C ATOM 446 CD LYS A 160 11.239 -1.656 0.684 1.00 0.00 C ATOM 447 CE LYS A 160 11.668 -2.956 -0.007 1.00 0.00 C ATOM 448 NZ LYS A 160 12.623 -3.713 0.821 1.00 0.00 N ATOM 0 H LYS A 160 6.632 -1.358 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 160 8.484 0.597 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 160 8.556 -1.759 0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 160 9.285 -2.269 -1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 160 10.999 -0.525 -1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 160 10.209 0.187 0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 160 12.124 -1.115 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 160 10.655 -1.894 1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 160 10.790 -3.571 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 160 12.122 -2.725 -0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 12.894 -4.587 0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 13.470 -3.134 0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 12.180 -3.953 1.731 1.00 0.00 H new ATOM 462 N ARG A 161 8.052 -1.639 -3.546 1.00 0.00 N ATOM 463 CA ARG A 161 8.176 -1.879 -4.977 1.00 0.00 C ATOM 464 C ARG A 161 7.450 -0.798 -5.781 1.00 0.00 C ATOM 465 O ARG A 161 8.022 -0.216 -6.703 1.00 0.00 O ATOM 466 CB ARG A 161 7.636 -3.277 -5.292 1.00 0.00 C ATOM 467 CG ARG A 161 8.575 -4.364 -4.753 1.00 0.00 C ATOM 468 CD ARG A 161 7.959 -5.757 -4.909 1.00 0.00 C ATOM 469 NE ARG A 161 6.817 -5.938 -4.001 1.00 0.00 N ATOM 470 CZ ARG A 161 6.085 -7.059 -3.928 1.00 0.00 C ATOM 471 NH1 ARG A 161 6.352 -8.088 -4.739 1.00 0.00 N ATOM 472 NH2 ARG A 161 5.089 -7.155 -3.041 1.00 0.00 N ATOM 0 H ARG A 161 7.678 -2.437 -3.032 1.00 0.00 H new ATOM 0 HA ARG A 161 9.226 -1.831 -5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 161 6.646 -3.396 -4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 161 7.522 -3.392 -6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 161 9.526 -4.323 -5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 161 8.789 -4.174 -3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 161 7.634 -5.900 -5.939 1.00 0.00 H new ATOM 0 HD3 ARG A 161 8.714 -6.516 -4.704 1.00 0.00 H new ATOM 0 HE ARG A 161 6.566 -5.162 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 161 7.113 -8.021 -5.414 1.00 0.00 H new ATOM 0 HH12 ARG A 161 5.794 -8.940 -4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 161 4.884 -6.374 -2.418 1.00 0.00 H new ATOM 0 HH22 ARG A 161 4.534 -8.009 -2.988 1.00 0.00 H new ATOM 486 N THR A 162 6.193 -0.530 -5.416 1.00 0.00 N ATOM 487 CA THR A 162 5.361 0.478 -6.051 1.00 0.00 C ATOM 488 C THR A 162 6.094 1.813 -6.112 1.00 0.00 C ATOM 489 O THR A 162 6.263 2.375 -7.191 1.00 0.00 O ATOM 490 CB THR A 162 4.034 0.614 -5.287 1.00 0.00 C ATOM 491 OG1 THR A 162 3.312 -0.593 -5.414 1.00 0.00 O ATOM 492 CG2 THR A 162 3.185 1.788 -5.779 1.00 0.00 C ATOM 0 H THR A 162 5.723 -1.021 -4.656 1.00 0.00 H new ATOM 0 HA THR A 162 5.143 0.169 -7.073 1.00 0.00 H new ATOM 0 HB THR A 162 4.267 0.816 -4.242 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.664 -1.253 -4.781 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.260 1.835 -5.204 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.740 2.717 -5.650 1.00 0.00 H new ATOM 0 HG23 THR A 162 2.949 1.649 -6.834 1.00 0.00 H new ATOM 500 N VAL A 163 6.505 2.318 -4.949 1.00 0.00 N ATOM 501 CA VAL A 163 7.162 3.602 -4.788 1.00 0.00 C ATOM 502 C VAL A 163 8.490 3.670 -5.535 1.00 0.00 C ATOM 503 O VAL A 163 8.740 4.658 -6.218 1.00 0.00 O ATOM 504 CB VAL A 163 7.363 3.861 -3.291 1.00 0.00 C ATOM 505 CG1 VAL A 163 8.345 5.011 -3.028 1.00 0.00 C ATOM 506 CG2 VAL A 163 6.016 4.172 -2.627 1.00 0.00 C ATOM 0 H VAL A 163 6.382 1.822 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 163 6.529 4.376 -5.222 1.00 0.00 H new ATOM 0 HB VAL A 163 7.790 2.956 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 163 8.455 5.157 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 163 9.315 4.768 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 163 7.964 5.926 -3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 163 6.168 4.355 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 163 5.579 5.057 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 163 5.342 3.325 -2.757 1.00 0.00 H new ATOM 516 N ARG A 164 9.352 2.657 -5.369 1.00 0.00 N ATOM 517 CA ARG A 164 10.686 2.640 -5.966 1.00 0.00 C ATOM 518 C ARG A 164 10.675 3.123 -7.419 1.00 0.00 C ATOM 519 O ARG A 164 11.467 3.991 -7.786 1.00 0.00 O ATOM 520 CB ARG A 164 11.325 1.249 -5.834 1.00 0.00 C ATOM 521 CG ARG A 164 11.763 0.941 -4.395 1.00 0.00 C ATOM 522 CD ARG A 164 13.131 1.538 -4.043 1.00 0.00 C ATOM 523 NE ARG A 164 13.416 1.379 -2.610 1.00 0.00 N ATOM 524 CZ ARG A 164 13.809 0.252 -2.004 1.00 0.00 C ATOM 525 NH1 ARG A 164 14.076 -0.857 -2.702 1.00 0.00 N ATOM 526 NH2 ARG A 164 13.924 0.246 -0.677 1.00 0.00 N ATOM 0 H ARG A 164 9.139 1.827 -4.815 1.00 0.00 H new ATOM 0 HA ARG A 164 11.302 3.347 -5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 164 10.613 0.492 -6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.189 1.185 -6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 164 11.015 1.328 -3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 164 11.798 -0.139 -4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 164 13.908 1.048 -4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 164 13.150 2.595 -4.307 1.00 0.00 H new ATOM 0 HE ARG A 164 13.304 2.205 -2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 164 13.982 -0.855 -3.718 1.00 0.00 H new ATOM 0 HH12 ARG A 164 14.374 -1.704 -2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 164 13.714 1.089 -0.143 1.00 0.00 H new ATOM 0 HH22 ARG A 164 14.222 -0.602 -0.195 1.00 0.00 H new ATOM 540 N LYS A 165 9.781 2.563 -8.234 1.00 0.00 N ATOM 541 CA LYS A 165 9.629 2.946 -9.633 1.00 0.00 C ATOM 542 C LYS A 165 8.527 4.007 -9.800 1.00 0.00 C ATOM 543 O LYS A 165 8.537 4.748 -10.779 1.00 0.00 O ATOM 544 CB LYS A 165 9.281 1.725 -10.487 1.00 0.00 C ATOM 545 CG LYS A 165 10.408 0.701 -10.650 1.00 0.00 C ATOM 546 CD LYS A 165 10.610 -0.121 -9.375 1.00 0.00 C ATOM 547 CE LYS A 165 11.461 -1.371 -9.628 1.00 0.00 C ATOM 548 NZ LYS A 165 12.800 -1.030 -10.137 1.00 0.00 N ATOM 0 H LYS A 165 9.140 1.827 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 165 10.579 3.366 -9.964 1.00 0.00 H new ATOM 0 HB2 LYS A 165 8.419 1.226 -10.044 1.00 0.00 H new ATOM 0 HB3 LYS A 165 8.977 2.068 -11.476 1.00 0.00 H new ATOM 0 HG2 LYS A 165 10.177 0.034 -11.481 1.00 0.00 H new ATOM 0 HG3 LYS A 165 11.335 1.216 -10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 165 11.090 0.498 -8.617 1.00 0.00 H new ATOM 0 HD3 LYS A 165 9.640 -0.417 -8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 165 11.558 -1.938 -8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 165 10.954 -2.017 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 13.378 -1.892 -10.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 12.714 -0.602 -11.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 13.255 -0.354 -9.491 1.00 0.00 H new ATOM 562 N ASP A 166 7.558 4.030 -8.879 1.00 0.00 N ATOM 563 CA ASP A 166 6.359 4.863 -8.855 1.00 0.00 C ATOM 564 C ASP A 166 5.353 4.322 -9.871 1.00 0.00 C ATOM 565 O ASP A 166 4.957 5.014 -10.804 1.00 0.00 O ATOM 566 CB ASP A 166 6.651 6.362 -9.005 1.00 0.00 C ATOM 567 CG ASP A 166 5.398 7.202 -8.749 1.00 0.00 C ATOM 568 OD1 ASP A 166 4.679 6.886 -7.774 1.00 0.00 O ATOM 569 OD2 ASP A 166 5.186 8.161 -9.522 1.00 0.00 O ATOM 0 H ASP A 166 7.599 3.415 -8.066 1.00 0.00 H new ATOM 0 HA ASP A 166 5.909 4.796 -7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 166 7.435 6.653 -8.306 1.00 0.00 H new ATOM 0 HB3 ASP A 166 7.027 6.563 -10.008 1.00 0.00 H new ATOM 574 N LEU A 167 4.951 3.058 -9.685 1.00 0.00 N ATOM 575 CA LEU A 167 4.020 2.364 -10.564 1.00 0.00 C ATOM 576 C LEU A 167 2.723 3.149 -10.780 1.00 0.00 C ATOM 577 O LEU A 167 1.901 3.288 -9.873 1.00 0.00 O ATOM 578 CB LEU A 167 3.694 0.987 -9.979 1.00 0.00 C ATOM 579 CG LEU A 167 4.689 -0.131 -10.319 1.00 0.00 C ATOM 580 CD1 LEU A 167 4.441 -0.659 -11.737 1.00 0.00 C ATOM 581 CD2 LEU A 167 6.154 0.272 -10.164 1.00 0.00 C ATOM 0 H LEU A 167 5.273 2.485 -8.905 1.00 0.00 H new ATOM 0 HA LEU A 167 4.504 2.261 -11.535 1.00 0.00 H new ATOM 0 HB2 LEU A 167 3.634 1.078 -8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 167 2.706 0.688 -10.329 1.00 0.00 H new ATOM 0 HG LEU A 167 4.508 -0.919 -9.588 1.00 0.00 H new ATOM 0 HD11 LEU A 167 5.156 -1.451 -11.961 1.00 0.00 H new ATOM 0 HD12 LEU A 167 3.428 -1.055 -11.806 1.00 0.00 H new ATOM 0 HD13 LEU A 167 4.563 0.153 -12.454 1.00 0.00 H new ATOM 0 HD21 LEU A 167 6.793 -0.572 -10.423 1.00 0.00 H new ATOM 0 HD22 LEU A 167 6.373 1.109 -10.827 1.00 0.00 H new ATOM 0 HD23 LEU A 167 6.343 0.567 -9.132 1.00 0.00 H new ATOM 593 N THR A 168 2.513 3.617 -12.011 1.00 0.00 N ATOM 594 CA THR A 168 1.321 4.335 -12.417 1.00 0.00 C ATOM 595 C THR A 168 0.201 3.319 -12.637 1.00 0.00 C ATOM 596 O THR A 168 -0.141 3.004 -13.777 1.00 0.00 O ATOM 597 CB THR A 168 1.648 5.110 -13.698 1.00 0.00 C ATOM 598 OG1 THR A 168 2.194 4.212 -14.643 1.00 0.00 O ATOM 599 CG2 THR A 168 2.664 6.220 -13.420 1.00 0.00 C ATOM 0 H THR A 168 3.188 3.500 -12.766 1.00 0.00 H new ATOM 0 HA THR A 168 0.993 5.045 -11.658 1.00 0.00 H new ATOM 0 HB THR A 168 0.733 5.564 -14.079 1.00 0.00 H new ATOM 0 HG1 THR A 168 1.539 3.512 -14.845 1.00 0.00 H new ATOM 0 HG21 THR A 168 2.880 6.756 -14.344 1.00 0.00 H new ATOM 0 HG22 THR A 168 2.253 6.914 -12.686 1.00 0.00 H new ATOM 0 HG23 THR A 168 3.583 5.783 -13.031 1.00 0.00 H new ATOM 607 N TYR A 169 -0.337 2.774 -11.545 1.00 0.00 N ATOM 608 CA TYR A 169 -1.383 1.765 -11.610 1.00 0.00 C ATOM 609 C TYR A 169 -2.744 2.394 -11.928 1.00 0.00 C ATOM 610 O TYR A 169 -2.906 3.612 -11.954 1.00 0.00 O ATOM 611 CB TYR A 169 -1.504 1.064 -10.252 1.00 0.00 C ATOM 612 CG TYR A 169 -0.259 0.411 -9.696 1.00 0.00 C ATOM 613 CD1 TYR A 169 0.289 -0.721 -10.331 1.00 0.00 C ATOM 614 CD2 TYR A 169 0.166 0.756 -8.400 1.00 0.00 C ATOM 615 CE1 TYR A 169 1.257 -1.500 -9.670 1.00 0.00 C ATOM 616 CE2 TYR A 169 1.095 -0.049 -7.730 1.00 0.00 C ATOM 617 CZ TYR A 169 1.670 -1.156 -8.373 1.00 0.00 C ATOM 618 OH TYR A 169 2.578 -1.927 -7.715 1.00 0.00 O ATOM 0 H TYR A 169 -0.058 3.022 -10.596 1.00 0.00 H new ATOM 0 HA TYR A 169 -1.113 1.061 -12.397 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.855 1.796 -9.524 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -2.278 0.300 -10.334 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -0.034 -0.991 -11.326 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -0.225 1.642 -7.922 1.00 0.00 H new ATOM 0 HE1 TYR A 169 1.682 -2.363 -10.161 1.00 0.00 H new ATOM 0 HE2 TYR A 169 1.371 0.183 -6.712 1.00 0.00 H new ATOM 0 HH TYR A 169 2.820 -1.497 -6.869 1.00 0.00 H new ATOM 628 N THR A 170 -3.747 1.539 -12.125 1.00 0.00 N ATOM 629 CA THR A 170 -5.142 1.896 -12.336 1.00 0.00 C ATOM 630 C THR A 170 -5.937 0.660 -11.919 1.00 0.00 C ATOM 631 O THR A 170 -5.730 -0.415 -12.482 1.00 0.00 O ATOM 632 CB THR A 170 -5.379 2.287 -13.804 1.00 0.00 C ATOM 633 OG1 THR A 170 -4.707 3.497 -14.097 1.00 0.00 O ATOM 634 CG2 THR A 170 -6.865 2.508 -14.104 1.00 0.00 C ATOM 0 H THR A 170 -3.597 0.530 -12.142 1.00 0.00 H new ATOM 0 HA THR A 170 -5.450 2.764 -11.753 1.00 0.00 H new ATOM 0 HB THR A 170 -5.003 1.465 -14.413 1.00 0.00 H new ATOM 0 HG1 THR A 170 -4.122 3.736 -13.348 1.00 0.00 H new ATOM 0 HG21 THR A 170 -6.988 2.783 -15.152 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.417 1.590 -13.902 1.00 0.00 H new ATOM 0 HG23 THR A 170 -7.249 3.309 -13.472 1.00 0.00 H new ATOM 642 N CYS A 171 -6.819 0.778 -10.922 1.00 0.00 N ATOM 643 CA CYS A 171 -7.584 -0.373 -10.467 1.00 0.00 C ATOM 644 C CYS A 171 -8.706 -0.638 -11.459 1.00 0.00 C ATOM 645 O CYS A 171 -9.442 0.274 -11.834 1.00 0.00 O ATOM 646 CB CYS A 171 -8.156 -0.157 -9.065 1.00 0.00 C ATOM 647 SG CYS A 171 -9.224 -1.520 -8.518 1.00 0.00 S ATOM 0 H CYS A 171 -7.015 1.647 -10.425 1.00 0.00 H new ATOM 0 HA CYS A 171 -6.918 -1.234 -10.412 1.00 0.00 H new ATOM 0 HB2 CYS A 171 -7.335 -0.039 -8.358 1.00 0.00 H new ATOM 0 HB3 CYS A 171 -8.725 0.772 -9.050 1.00 0.00 H new ATOM 0 HG CYS A 171 -8.806 -1.965 -7.370 1.00 0.00 H new ATOM 652 N ARG A 172 -8.856 -1.898 -11.862 1.00 0.00 N ATOM 653 CA ARG A 172 -9.885 -2.323 -12.791 1.00 0.00 C ATOM 654 C ARG A 172 -11.215 -2.462 -12.041 1.00 0.00 C ATOM 655 O ARG A 172 -11.778 -3.553 -11.965 1.00 0.00 O ATOM 656 CB ARG A 172 -9.455 -3.621 -13.488 1.00 0.00 C ATOM 657 CG ARG A 172 -8.030 -3.581 -14.066 1.00 0.00 C ATOM 658 CD ARG A 172 -7.768 -2.412 -15.022 1.00 0.00 C ATOM 659 NE ARG A 172 -6.591 -2.680 -15.861 1.00 0.00 N ATOM 660 CZ ARG A 172 -5.313 -2.721 -15.454 1.00 0.00 C ATOM 661 NH1 ARG A 172 -4.950 -2.322 -14.230 1.00 0.00 N ATOM 662 NH2 ARG A 172 -4.379 -3.172 -16.295 1.00 0.00 N ATOM 0 H ARG A 172 -8.255 -2.658 -11.544 1.00 0.00 H new ATOM 0 HA ARG A 172 -10.027 -1.578 -13.574 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -9.524 -4.443 -12.776 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -10.156 -3.838 -14.294 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -7.318 -3.528 -13.242 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -7.838 -4.516 -14.593 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -8.641 -2.250 -15.654 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -7.613 -1.497 -14.451 1.00 0.00 H new ATOM 0 HE ARG A 172 -6.763 -2.852 -16.852 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -5.653 -1.975 -13.577 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -3.970 -2.365 -13.949 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -4.641 -3.479 -17.232 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -3.403 -3.209 -16.001 1.00 0.00 H new ATOM 676 N ASP A 173 -11.693 -1.346 -11.484 1.00 0.00 N ATOM 677 CA ASP A 173 -12.959 -1.203 -10.773 1.00 0.00 C ATOM 678 C ASP A 173 -13.394 0.258 -10.915 1.00 0.00 C ATOM 679 O ASP A 173 -13.936 0.633 -11.950 1.00 0.00 O ATOM 680 CB ASP A 173 -12.866 -1.637 -9.300 1.00 0.00 C ATOM 681 CG ASP A 173 -12.836 -3.149 -9.100 1.00 0.00 C ATOM 682 OD1 ASP A 173 -13.816 -3.799 -9.519 1.00 0.00 O ATOM 683 OD2 ASP A 173 -11.849 -3.628 -8.498 1.00 0.00 O ATOM 0 H ASP A 173 -11.174 -0.469 -11.521 1.00 0.00 H new ATOM 0 HA ASP A 173 -13.704 -1.868 -11.210 1.00 0.00 H new ATOM 0 HB2 ASP A 173 -11.967 -1.205 -8.860 1.00 0.00 H new ATOM 0 HB3 ASP A 173 -13.716 -1.226 -8.756 1.00 0.00 H new ATOM 688 N ASN A 174 -13.138 1.101 -9.907 1.00 0.00 N ATOM 689 CA ASN A 174 -13.433 2.528 -9.884 1.00 0.00 C ATOM 690 C ASN A 174 -12.278 3.182 -9.131 1.00 0.00 C ATOM 691 O ASN A 174 -11.634 2.531 -8.307 1.00 0.00 O ATOM 692 CB ASN A 174 -14.754 2.821 -9.144 1.00 0.00 C ATOM 693 CG ASN A 174 -16.024 2.878 -9.999 1.00 0.00 C ATOM 694 OD1 ASN A 174 -16.993 3.513 -9.601 1.00 0.00 O ATOM 695 ND2 ASN A 174 -16.064 2.253 -11.170 1.00 0.00 N ATOM 0 H ASN A 174 -12.697 0.784 -9.044 1.00 0.00 H new ATOM 0 HA ASN A 174 -13.542 2.910 -10.899 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -14.893 2.056 -8.380 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -14.650 3.774 -8.626 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -16.905 2.300 -11.745 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -15.253 1.726 -11.495 1.00 0.00 H new ATOM 702 N LYS A 175 -12.027 4.465 -9.402 1.00 0.00 N ATOM 703 CA LYS A 175 -10.958 5.248 -8.793 1.00 0.00 C ATOM 704 C LYS A 175 -10.927 5.125 -7.264 1.00 0.00 C ATOM 705 O LYS A 175 -9.855 5.150 -6.664 1.00 0.00 O ATOM 706 CB LYS A 175 -11.134 6.715 -9.218 1.00 0.00 C ATOM 707 CG LYS A 175 -9.916 7.586 -8.873 1.00 0.00 C ATOM 708 CD LYS A 175 -10.098 9.051 -9.294 1.00 0.00 C ATOM 709 CE LYS A 175 -11.177 9.770 -8.474 1.00 0.00 C ATOM 710 NZ LYS A 175 -11.217 11.208 -8.789 1.00 0.00 N ATOM 0 H LYS A 175 -12.580 5.000 -10.071 1.00 0.00 H new ATOM 0 HA LYS A 175 -10.002 4.858 -9.143 1.00 0.00 H new ATOM 0 HB2 LYS A 175 -11.313 6.758 -10.292 1.00 0.00 H new ATOM 0 HB3 LYS A 175 -12.018 7.126 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 175 -9.734 7.541 -7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 175 -9.032 7.178 -9.363 1.00 0.00 H new ATOM 0 HD2 LYS A 175 -9.150 9.578 -9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 175 -10.362 9.092 -10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 175 -12.150 9.323 -8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 175 -10.980 9.634 -7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 -11.956 11.668 -8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 -10.295 11.637 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 -11.429 11.336 -9.799 1.00 0.00 H new ATOM 724 N ASP A 176 -12.104 5.012 -6.642 1.00 0.00 N ATOM 725 CA ASP A 176 -12.284 4.950 -5.194 1.00 0.00 C ATOM 726 C ASP A 176 -12.605 3.538 -4.695 1.00 0.00 C ATOM 727 O ASP A 176 -13.134 3.391 -3.597 1.00 0.00 O ATOM 728 CB ASP A 176 -13.397 5.929 -4.787 1.00 0.00 C ATOM 729 CG ASP A 176 -14.780 5.467 -5.249 1.00 0.00 C ATOM 730 OD1 ASP A 176 -14.875 5.054 -6.426 1.00 0.00 O ATOM 731 OD2 ASP A 176 -15.715 5.545 -4.424 1.00 0.00 O ATOM 0 H ASP A 176 -12.986 4.960 -7.152 1.00 0.00 H new ATOM 0 HA ASP A 176 -11.340 5.232 -4.727 1.00 0.00 H new ATOM 0 HB2 ASP A 176 -13.399 6.042 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 176 -13.185 6.911 -5.210 1.00 0.00 H new ATOM 736 N CYS A 177 -12.308 2.500 -5.484 1.00 0.00 N ATOM 737 CA CYS A 177 -12.581 1.126 -5.081 1.00 0.00 C ATOM 738 C CYS A 177 -11.927 0.799 -3.727 1.00 0.00 C ATOM 739 O CYS A 177 -10.785 1.175 -3.461 1.00 0.00 O ATOM 740 CB CYS A 177 -12.173 0.178 -6.215 1.00 0.00 C ATOM 741 SG CYS A 177 -11.768 -1.520 -5.748 1.00 0.00 S ATOM 0 H CYS A 177 -11.878 2.591 -6.405 1.00 0.00 H new ATOM 0 HA CYS A 177 -13.650 0.990 -4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 177 -12.985 0.147 -6.941 1.00 0.00 H new ATOM 0 HB3 CYS A 177 -11.309 0.607 -6.722 1.00 0.00 H new ATOM 0 HG CYS A 177 -11.834 -1.642 -4.455 1.00 0.00 H new ATOM 746 N LEU A 178 -12.676 0.114 -2.857 1.00 0.00 N ATOM 747 CA LEU A 178 -12.230 -0.253 -1.521 1.00 0.00 C ATOM 748 C LEU A 178 -11.320 -1.483 -1.564 1.00 0.00 C ATOM 749 O LEU A 178 -11.307 -2.226 -2.544 1.00 0.00 O ATOM 750 CB LEU A 178 -13.445 -0.506 -0.615 1.00 0.00 C ATOM 751 CG LEU A 178 -14.438 0.668 -0.559 1.00 0.00 C ATOM 752 CD1 LEU A 178 -15.588 0.306 0.387 1.00 0.00 C ATOM 753 CD2 LEU A 178 -13.777 1.967 -0.080 1.00 0.00 C ATOM 0 H LEU A 178 -13.622 -0.203 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 178 -11.650 0.573 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -13.969 -1.395 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -13.094 -0.721 0.395 1.00 0.00 H new ATOM 0 HG LEU A 178 -14.807 0.841 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -16.296 1.133 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -16.095 -0.586 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -15.192 0.113 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -14.518 2.766 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -13.371 1.821 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -12.972 2.239 -0.763 1.00 0.00 H new ATOM 765 N ILE A 179 -10.563 -1.700 -0.485 1.00 0.00 N ATOM 766 CA ILE A 179 -9.636 -2.813 -0.361 1.00 0.00 C ATOM 767 C ILE A 179 -10.272 -3.947 0.435 1.00 0.00 C ATOM 768 O ILE A 179 -10.337 -3.890 1.662 1.00 0.00 O ATOM 769 CB ILE A 179 -8.325 -2.335 0.291 1.00 0.00 C ATOM 770 CG1 ILE A 179 -7.652 -1.225 -0.529 1.00 0.00 C ATOM 771 CG2 ILE A 179 -7.340 -3.501 0.482 1.00 0.00 C ATOM 772 CD1 ILE A 179 -7.389 -1.646 -1.972 1.00 0.00 C ATOM 0 H ILE A 179 -10.582 -1.095 0.336 1.00 0.00 H new ATOM 0 HA ILE A 179 -9.401 -3.196 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 179 -8.592 -1.930 1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -8.285 -0.337 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -6.709 -0.949 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -6.424 -3.132 0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -7.791 -4.257 1.124 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -7.105 -3.941 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -6.912 -0.826 -2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -6.734 -2.517 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -8.333 -1.896 -2.456 1.00 0.00 H new ATOM 784 N ASP A 180 -10.686 -5.010 -0.259 1.00 0.00 N ATOM 785 CA ASP A 180 -11.144 -6.220 0.410 1.00 0.00 C ATOM 786 C ASP A 180 -9.897 -6.879 1.008 1.00 0.00 C ATOM 787 O ASP A 180 -8.792 -6.608 0.542 1.00 0.00 O ATOM 788 CB ASP A 180 -11.784 -7.189 -0.595 1.00 0.00 C ATOM 789 CG ASP A 180 -12.939 -6.585 -1.386 1.00 0.00 C ATOM 790 OD1 ASP A 180 -13.764 -5.885 -0.761 1.00 0.00 O ATOM 791 OD2 ASP A 180 -12.974 -6.853 -2.608 1.00 0.00 O ATOM 0 H ASP A 180 -10.712 -5.053 -1.278 1.00 0.00 H new ATOM 0 HA ASP A 180 -11.889 -5.979 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -11.019 -7.532 -1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -12.144 -8.067 -0.059 1.00 0.00 H new ATOM 921 N CYS A 187 -6.075 -4.460 -8.128 1.00 0.00 N ATOM 922 CA CYS A 187 -6.397 -3.397 -7.183 1.00 0.00 C ATOM 923 C CYS A 187 -5.156 -2.812 -6.508 1.00 0.00 C ATOM 924 O CYS A 187 -5.116 -2.566 -5.304 1.00 0.00 O ATOM 925 CB CYS A 187 -7.419 -3.990 -6.201 1.00 0.00 C ATOM 926 SG CYS A 187 -8.326 -2.846 -5.141 1.00 0.00 S ATOM 0 HA CYS A 187 -6.829 -2.535 -7.692 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -8.147 -4.561 -6.778 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -6.895 -4.698 -5.559 1.00 0.00 H new ATOM 0 HG CYS A 187 -9.507 -2.634 -5.642 1.00 0.00 H new ATOM 931 N GLN A 188 -4.141 -2.556 -7.326 1.00 0.00 N ATOM 932 CA GLN A 188 -2.854 -2.020 -6.923 1.00 0.00 C ATOM 933 C GLN A 188 -3.004 -0.533 -6.602 1.00 0.00 C ATOM 934 O GLN A 188 -2.589 -0.054 -5.548 1.00 0.00 O ATOM 935 CB GLN A 188 -1.868 -2.214 -8.079 1.00 0.00 C ATOM 936 CG GLN A 188 -1.736 -3.660 -8.588 1.00 0.00 C ATOM 937 CD GLN A 188 -1.561 -3.683 -10.104 1.00 0.00 C ATOM 938 OE1 GLN A 188 -0.525 -4.082 -10.627 1.00 0.00 O ATOM 939 NE2 GLN A 188 -2.584 -3.267 -10.844 1.00 0.00 N ATOM 0 H GLN A 188 -4.199 -2.725 -8.330 1.00 0.00 H new ATOM 0 HA GLN A 188 -2.486 -2.535 -6.035 1.00 0.00 H new ATOM 0 HB2 GLN A 188 -2.177 -1.580 -8.910 1.00 0.00 H new ATOM 0 HB3 GLN A 188 -0.885 -1.866 -7.760 1.00 0.00 H new ATOM 0 HG2 GLN A 188 -0.883 -4.143 -8.111 1.00 0.00 H new ATOM 0 HG3 GLN A 188 -2.622 -4.231 -8.310 1.00 0.00 H new ATOM 0 HE21 GLN A 188 -3.438 -2.938 -10.394 1.00 0.00 H new ATOM 0 HE22 GLN A 188 -2.515 -3.277 -11.862 1.00 0.00 H new ATOM 948 N TYR A 189 -3.614 0.197 -7.538 1.00 0.00 N ATOM 949 CA TYR A 189 -3.842 1.628 -7.430 1.00 0.00 C ATOM 950 C TYR A 189 -4.518 1.974 -6.110 1.00 0.00 C ATOM 951 O TYR A 189 -4.080 2.873 -5.403 1.00 0.00 O ATOM 952 CB TYR A 189 -4.701 2.080 -8.611 1.00 0.00 C ATOM 953 CG TYR A 189 -4.993 3.564 -8.640 1.00 0.00 C ATOM 954 CD1 TYR A 189 -3.935 4.490 -8.697 1.00 0.00 C ATOM 955 CD2 TYR A 189 -6.319 4.023 -8.559 1.00 0.00 C ATOM 956 CE1 TYR A 189 -4.206 5.868 -8.723 1.00 0.00 C ATOM 957 CE2 TYR A 189 -6.587 5.399 -8.569 1.00 0.00 C ATOM 958 CZ TYR A 189 -5.532 6.324 -8.652 1.00 0.00 C ATOM 959 OH TYR A 189 -5.775 7.649 -8.460 1.00 0.00 O ATOM 0 H TYR A 189 -3.968 -0.204 -8.407 1.00 0.00 H new ATOM 0 HA TYR A 189 -2.885 2.149 -7.452 1.00 0.00 H new ATOM 0 HB2 TYR A 189 -4.198 1.803 -9.537 1.00 0.00 H new ATOM 0 HB3 TYR A 189 -5.646 1.537 -8.586 1.00 0.00 H new ATOM 0 HD1 TYR A 189 -2.913 4.141 -8.721 1.00 0.00 H new ATOM 0 HD2 TYR A 189 -7.132 3.315 -8.489 1.00 0.00 H new ATOM 0 HE1 TYR A 189 -3.394 6.577 -8.798 1.00 0.00 H new ATOM 0 HE2 TYR A 189 -7.607 5.749 -8.513 1.00 0.00 H new ATOM 0 HH TYR A 189 -6.134 7.789 -7.559 1.00 0.00 H new ATOM 969 N CYS A 190 -5.580 1.244 -5.772 1.00 0.00 N ATOM 970 CA CYS A 190 -6.297 1.448 -4.531 1.00 0.00 C ATOM 971 C CYS A 190 -5.365 1.227 -3.344 1.00 0.00 C ATOM 972 O CYS A 190 -5.337 2.060 -2.447 1.00 0.00 O ATOM 973 CB CYS A 190 -7.499 0.516 -4.491 1.00 0.00 C ATOM 974 SG CYS A 190 -8.731 0.848 -5.769 1.00 0.00 S ATOM 0 H CYS A 190 -5.961 0.498 -6.355 1.00 0.00 H new ATOM 0 HA CYS A 190 -6.658 2.475 -4.471 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -7.152 -0.512 -4.594 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -7.975 0.595 -3.513 1.00 0.00 H new ATOM 0 HG CYS A 190 -8.849 -0.193 -6.539 1.00 0.00 H new ATOM 979 N ARG A 191 -4.596 0.132 -3.325 1.00 0.00 N ATOM 980 CA ARG A 191 -3.672 -0.136 -2.228 1.00 0.00 C ATOM 981 C ARG A 191 -2.707 1.046 -2.067 1.00 0.00 C ATOM 982 O ARG A 191 -2.500 1.537 -0.956 1.00 0.00 O ATOM 983 CB ARG A 191 -2.920 -1.455 -2.462 1.00 0.00 C ATOM 984 CG ARG A 191 -3.838 -2.672 -2.291 1.00 0.00 C ATOM 985 CD ARG A 191 -3.206 -3.951 -2.852 1.00 0.00 C ATOM 986 NE ARG A 191 -1.891 -4.214 -2.252 1.00 0.00 N ATOM 987 CZ ARG A 191 -1.510 -5.303 -1.566 1.00 0.00 C ATOM 988 NH1 ARG A 191 -2.310 -6.362 -1.387 1.00 0.00 N ATOM 989 NH2 ARG A 191 -0.279 -5.326 -1.053 1.00 0.00 N ATOM 0 H ARG A 191 -4.598 -0.578 -4.057 1.00 0.00 H new ATOM 0 HA ARG A 191 -4.235 -0.247 -1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -2.495 -1.458 -3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -2.087 -1.527 -1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -4.062 -2.812 -1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -4.786 -2.485 -2.795 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -3.868 -4.797 -2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -3.102 -3.862 -3.933 1.00 0.00 H new ATOM 0 HE ARG A 191 -1.187 -3.486 -2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -3.251 -6.362 -1.780 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -1.978 -7.168 -0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 191 0.344 -4.530 -1.187 1.00 0.00 H new ATOM 0 HH22 ARG A 191 0.039 -6.140 -0.527 1.00 0.00 H new ATOM 1003 N TYR A 192 -2.133 1.517 -3.180 1.00 0.00 N ATOM 1004 CA TYR A 192 -1.215 2.649 -3.169 1.00 0.00 C ATOM 1005 C TYR A 192 -1.918 3.904 -2.633 1.00 0.00 C ATOM 1006 O TYR A 192 -1.419 4.542 -1.707 1.00 0.00 O ATOM 1007 CB TYR A 192 -0.604 2.845 -4.567 1.00 0.00 C ATOM 1008 CG TYR A 192 0.528 3.858 -4.691 1.00 0.00 C ATOM 1009 CD1 TYR A 192 1.480 4.019 -3.664 1.00 0.00 C ATOM 1010 CD2 TYR A 192 0.737 4.509 -5.924 1.00 0.00 C ATOM 1011 CE1 TYR A 192 2.565 4.896 -3.833 1.00 0.00 C ATOM 1012 CE2 TYR A 192 1.862 5.332 -6.115 1.00 0.00 C ATOM 1013 CZ TYR A 192 2.768 5.541 -5.062 1.00 0.00 C ATOM 1014 OH TYR A 192 3.851 6.357 -5.226 1.00 0.00 O ATOM 0 H TYR A 192 -2.294 1.123 -4.107 1.00 0.00 H new ATOM 0 HA TYR A 192 -0.387 2.447 -2.489 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -0.235 1.880 -4.914 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -1.402 3.144 -5.247 1.00 0.00 H new ATOM 0 HD1 TYR A 192 1.375 3.466 -2.743 1.00 0.00 H new ATOM 0 HD2 TYR A 192 0.028 4.375 -6.728 1.00 0.00 H new ATOM 0 HE1 TYR A 192 3.245 5.074 -3.013 1.00 0.00 H new ATOM 0 HE2 TYR A 192 2.029 5.804 -7.072 1.00 0.00 H new ATOM 0 HH TYR A 192 4.132 6.343 -6.165 1.00 0.00 H new ATOM 1024 N GLN A 193 -3.087 4.251 -3.183 1.00 0.00 N ATOM 1025 CA GLN A 193 -3.873 5.384 -2.718 1.00 0.00 C ATOM 1026 C GLN A 193 -4.134 5.287 -1.215 1.00 0.00 C ATOM 1027 O GLN A 193 -3.903 6.255 -0.499 1.00 0.00 O ATOM 1028 CB GLN A 193 -5.214 5.445 -3.458 1.00 0.00 C ATOM 1029 CG GLN A 193 -5.110 6.035 -4.869 1.00 0.00 C ATOM 1030 CD GLN A 193 -6.495 6.233 -5.483 1.00 0.00 C ATOM 1031 OE1 GLN A 193 -6.814 7.305 -5.993 1.00 0.00 O ATOM 1032 NE2 GLN A 193 -7.328 5.200 -5.455 1.00 0.00 N ATOM 0 H GLN A 193 -3.510 3.749 -3.964 1.00 0.00 H new ATOM 0 HA GLN A 193 -3.302 6.290 -2.922 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -5.629 4.439 -3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -5.915 6.042 -2.874 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -4.586 6.990 -4.830 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -4.519 5.372 -5.501 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -7.037 4.322 -5.025 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -8.259 5.284 -5.863 1.00 0.00 H new ATOM 1041 N LYS A 194 -4.612 4.134 -0.735 1.00 0.00 N ATOM 1042 CA LYS A 194 -4.886 3.911 0.677 1.00 0.00 C ATOM 1043 C LYS A 194 -3.620 4.200 1.482 1.00 0.00 C ATOM 1044 O LYS A 194 -3.650 4.986 2.429 1.00 0.00 O ATOM 1045 CB LYS A 194 -5.383 2.470 0.904 1.00 0.00 C ATOM 1046 CG LYS A 194 -6.913 2.365 0.985 1.00 0.00 C ATOM 1047 CD LYS A 194 -7.622 2.671 -0.340 1.00 0.00 C ATOM 1048 CE LYS A 194 -9.138 2.719 -0.118 1.00 0.00 C ATOM 1049 NZ LYS A 194 -9.868 2.973 -1.374 1.00 0.00 N ATOM 0 H LYS A 194 -4.819 3.328 -1.324 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.675 4.584 1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -5.024 1.836 0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.949 2.084 1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -7.183 1.359 1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -7.276 3.053 1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -7.273 3.624 -0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -7.377 1.908 -1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -9.472 1.775 0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -9.375 3.500 0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -10.787 3.409 -1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -9.312 3.614 -1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -10.020 2.074 -1.875 1.00 0.00 H new ATOM 1063 N ALA A 195 -2.508 3.572 1.094 1.00 0.00 N ATOM 1064 CA ALA A 195 -1.223 3.761 1.747 1.00 0.00 C ATOM 1065 C ALA A 195 -0.878 5.251 1.857 1.00 0.00 C ATOM 1066 O ALA A 195 -0.594 5.748 2.948 1.00 0.00 O ATOM 1067 CB ALA A 195 -0.147 2.987 0.979 1.00 0.00 C ATOM 0 H ALA A 195 -2.480 2.916 0.313 1.00 0.00 H new ATOM 0 HA ALA A 195 -1.273 3.372 2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.818 3.126 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 195 -0.399 1.927 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 195 -0.094 3.357 -0.045 1.00 0.00 H new ATOM 1073 N LEU A 196 -0.916 5.973 0.735 1.00 0.00 N ATOM 1074 CA LEU A 196 -0.605 7.393 0.721 1.00 0.00 C ATOM 1075 C LEU A 196 -1.564 8.172 1.623 1.00 0.00 C ATOM 1076 O LEU A 196 -1.135 8.897 2.519 1.00 0.00 O ATOM 1077 CB LEU A 196 -0.653 7.912 -0.721 1.00 0.00 C ATOM 1078 CG LEU A 196 0.443 7.330 -1.630 1.00 0.00 C ATOM 1079 CD1 LEU A 196 0.152 7.731 -3.081 1.00 0.00 C ATOM 1080 CD2 LEU A 196 1.839 7.825 -1.239 1.00 0.00 C ATOM 0 H LEU A 196 -1.161 5.589 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 196 0.401 7.542 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.628 7.678 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -0.562 8.998 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 196 0.433 6.246 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 196 0.924 7.323 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -0.820 7.338 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 196 0.145 8.818 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 196 2.581 7.388 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 196 1.875 8.912 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 196 2.056 7.528 -0.213 1.00 0.00 H new ATOM 1092 N ALA A 197 -2.866 8.013 1.386 1.00 0.00 N ATOM 1093 CA ALA A 197 -3.934 8.680 2.116 1.00 0.00 C ATOM 1094 C ALA A 197 -3.778 8.518 3.627 1.00 0.00 C ATOM 1095 O ALA A 197 -3.926 9.487 4.367 1.00 0.00 O ATOM 1096 CB ALA A 197 -5.291 8.149 1.649 1.00 0.00 C ATOM 0 H ALA A 197 -3.214 7.394 0.654 1.00 0.00 H new ATOM 0 HA ALA A 197 -3.874 9.747 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -6.087 8.651 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -5.409 8.341 0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -5.345 7.076 1.833 1.00 0.00 H new ATOM 1102 N MET A 198 -3.479 7.299 4.089 1.00 0.00 N ATOM 1103 CA MET A 198 -3.316 7.026 5.512 1.00 0.00 C ATOM 1104 C MET A 198 -1.945 7.454 6.055 1.00 0.00 C ATOM 1105 O MET A 198 -1.668 7.250 7.235 1.00 0.00 O ATOM 1106 CB MET A 198 -3.720 5.577 5.818 1.00 0.00 C ATOM 1107 CG MET A 198 -5.257 5.508 5.797 1.00 0.00 C ATOM 1108 SD MET A 198 -6.032 3.878 5.895 1.00 0.00 S ATOM 1109 CE MET A 198 -5.625 3.247 4.257 1.00 0.00 C ATOM 0 H MET A 198 -3.345 6.484 3.490 1.00 0.00 H new ATOM 0 HA MET A 198 -4.003 7.660 6.073 1.00 0.00 H new ATOM 0 HB2 MET A 198 -3.296 4.897 5.079 1.00 0.00 H new ATOM 0 HB3 MET A 198 -3.336 5.270 6.791 1.00 0.00 H new ATOM 0 HG2 MET A 198 -5.630 6.106 6.628 1.00 0.00 H new ATOM 0 HG3 MET A 198 -5.601 5.987 4.880 1.00 0.00 H new ATOM 0 HE1 MET A 198 -6.201 2.342 4.062 1.00 0.00 H new ATOM 0 HE2 MET A 198 -5.867 4.000 3.507 1.00 0.00 H new ATOM 0 HE3 MET A 198 -4.561 3.017 4.210 1.00 0.00 H new ATOM 1119 N GLY A 199 -1.112 8.108 5.239 1.00 0.00 N ATOM 1120 CA GLY A 199 0.132 8.709 5.685 1.00 0.00 C ATOM 1121 C GLY A 199 1.336 7.779 5.663 1.00 0.00 C ATOM 1122 O GLY A 199 2.264 7.986 6.444 1.00 0.00 O ATOM 0 H GLY A 199 -1.291 8.232 4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 199 0.347 9.573 5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 199 -0.004 9.080 6.701 1.00 0.00 H new ATOM 1126 N MET A 200 1.372 6.794 4.759 1.00 0.00 N ATOM 1127 CA MET A 200 2.567 5.967 4.639 1.00 0.00 C ATOM 1128 C MET A 200 3.702 6.863 4.146 1.00 0.00 C ATOM 1129 O MET A 200 3.607 7.447 3.064 1.00 0.00 O ATOM 1130 CB MET A 200 2.344 4.786 3.687 1.00 0.00 C ATOM 1131 CG MET A 200 1.472 3.712 4.341 1.00 0.00 C ATOM 1132 SD MET A 200 2.269 2.897 5.736 1.00 0.00 S ATOM 1133 CE MET A 200 0.994 1.723 6.191 1.00 0.00 C ATOM 0 H MET A 200 0.612 6.558 4.121 1.00 0.00 H new ATOM 0 HA MET A 200 2.817 5.536 5.608 1.00 0.00 H new ATOM 0 HB2 MET A 200 1.869 5.137 2.771 1.00 0.00 H new ATOM 0 HB3 MET A 200 3.305 4.356 3.403 1.00 0.00 H new ATOM 0 HG2 MET A 200 0.541 4.166 4.679 1.00 0.00 H new ATOM 0 HG3 MET A 200 1.209 2.963 3.594 1.00 0.00 H new ATOM 0 HE1 MET A 200 1.164 1.379 7.211 1.00 0.00 H new ATOM 0 HE2 MET A 200 0.018 2.203 6.128 1.00 0.00 H new ATOM 0 HE3 MET A 200 1.024 0.872 5.511 1.00 0.00 H new ATOM 1143 N LYS A 201 4.761 7.001 4.946 1.00 0.00 N ATOM 1144 CA LYS A 201 5.889 7.859 4.641 1.00 0.00 C ATOM 1145 C LYS A 201 6.691 7.314 3.463 1.00 0.00 C ATOM 1146 O LYS A 201 7.751 6.719 3.646 1.00 0.00 O ATOM 1147 CB LYS A 201 6.763 8.034 5.888 1.00 0.00 C ATOM 1148 CG LYS A 201 6.024 8.708 7.050 1.00 0.00 C ATOM 1149 CD LYS A 201 5.715 10.192 6.791 1.00 0.00 C ATOM 1150 CE LYS A 201 4.927 10.808 7.954 1.00 0.00 C ATOM 1151 NZ LYS A 201 5.683 10.780 9.219 1.00 0.00 N ATOM 0 H LYS A 201 4.853 6.509 5.835 1.00 0.00 H new ATOM 0 HA LYS A 201 5.516 8.839 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 201 7.123 7.058 6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 201 7.640 8.628 5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 201 5.091 8.176 7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 201 6.626 8.621 7.954 1.00 0.00 H new ATOM 0 HD2 LYS A 201 6.646 10.740 6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 201 5.143 10.291 5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 201 4.670 11.839 7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 201 3.989 10.267 8.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 201 5.188 11.353 9.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 201 5.760 9.799 9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 201 6.635 11.169 9.063 1.00 0.00 H new ATOM 1165 N ARG A 202 6.180 7.555 2.254 1.00 0.00 N ATOM 1166 CA ARG A 202 6.773 7.199 0.974 1.00 0.00 C ATOM 1167 C ARG A 202 8.290 7.413 0.980 1.00 0.00 C ATOM 1168 O ARG A 202 9.040 6.571 0.494 1.00 0.00 O ATOM 1169 CB ARG A 202 6.060 8.014 -0.119 1.00 0.00 C ATOM 1170 CG ARG A 202 6.602 7.696 -1.515 1.00 0.00 C ATOM 1171 CD ARG A 202 5.577 7.950 -2.624 1.00 0.00 C ATOM 1172 NE ARG A 202 5.036 9.312 -2.582 1.00 0.00 N ATOM 1173 CZ ARG A 202 4.043 9.750 -3.367 1.00 0.00 C ATOM 1174 NH1 ARG A 202 3.492 8.947 -4.287 1.00 0.00 N ATOM 1175 NH2 ARG A 202 3.599 11.003 -3.225 1.00 0.00 N ATOM 0 H ARG A 202 5.286 8.033 2.141 1.00 0.00 H new ATOM 0 HA ARG A 202 6.634 6.137 0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 202 4.991 7.804 -0.089 1.00 0.00 H new ATOM 0 HB3 ARG A 202 6.182 9.078 0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 202 7.489 8.301 -1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 202 6.915 6.653 -1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 202 6.044 7.777 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 202 4.760 7.234 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 202 5.441 9.967 -1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 202 3.828 7.990 -4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 202 2.736 9.293 -4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 202 4.016 11.615 -2.524 1.00 0.00 H new ATOM 0 HH22 ARG A 202 2.843 11.347 -3.818 1.00 0.00 H new ATOM 1189 N GLU A 203 8.742 8.518 1.576 1.00 0.00 N ATOM 1190 CA GLU A 203 10.144 8.874 1.698 1.00 0.00 C ATOM 1191 C GLU A 203 10.983 7.704 2.236 1.00 0.00 C ATOM 1192 O GLU A 203 12.048 7.394 1.702 1.00 0.00 O ATOM 1193 CB GLU A 203 10.265 10.080 2.642 1.00 0.00 C ATOM 1194 CG GLU A 203 9.368 11.274 2.269 1.00 0.00 C ATOM 1195 CD GLU A 203 8.048 11.270 3.043 1.00 0.00 C ATOM 1196 OE1 GLU A 203 7.138 10.528 2.610 1.00 0.00 O ATOM 1197 OE2 GLU A 203 7.982 11.978 4.070 1.00 0.00 O ATOM 0 H GLU A 203 8.118 9.206 1.998 1.00 0.00 H new ATOM 0 HA GLU A 203 10.527 9.123 0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 203 10.019 9.759 3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 203 11.303 10.412 2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 203 9.901 12.203 2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 203 9.160 11.250 1.199 1.00 0.00 H new ATOM 1204 N ALA A 204 10.486 7.053 3.292 1.00 0.00 N ATOM 1205 CA ALA A 204 11.157 5.955 3.973 1.00 0.00 C ATOM 1206 C ALA A 204 11.481 4.785 3.046 1.00 0.00 C ATOM 1207 O ALA A 204 12.433 4.051 3.302 1.00 0.00 O ATOM 1208 CB ALA A 204 10.317 5.504 5.169 1.00 0.00 C ATOM 0 H ALA A 204 9.582 7.285 3.703 1.00 0.00 H new ATOM 0 HA ALA A 204 12.120 6.325 4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 204 10.820 4.682 5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 204 10.192 6.337 5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 204 9.339 5.171 4.822 1.00 0.00 H new ATOM 1214 N VAL A 205 10.739 4.604 1.949 1.00 0.00 N ATOM 1215 CA VAL A 205 11.046 3.539 1.003 1.00 0.00 C ATOM 1216 C VAL A 205 12.482 3.680 0.496 1.00 0.00 C ATOM 1217 O VAL A 205 13.157 2.684 0.236 1.00 0.00 O ATOM 1218 CB VAL A 205 10.041 3.561 -0.155 1.00 0.00 C ATOM 1219 CG1 VAL A 205 10.524 2.723 -1.344 1.00 0.00 C ATOM 1220 CG2 VAL A 205 8.672 3.091 0.353 1.00 0.00 C ATOM 0 H VAL A 205 9.932 5.176 1.700 1.00 0.00 H new ATOM 0 HA VAL A 205 10.962 2.576 1.506 1.00 0.00 H new ATOM 0 HB VAL A 205 9.949 4.584 -0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 205 9.784 2.765 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 205 11.472 3.119 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 205 10.660 1.688 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 205 7.955 3.105 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 205 8.757 2.077 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 205 8.330 3.757 1.145 1.00 0.00 H new ATOM 1230 N GLN A 206 12.972 4.914 0.384 1.00 0.00 N ATOM 1231 CA GLN A 206 14.315 5.174 -0.100 1.00 0.00 C ATOM 1232 C GLN A 206 15.396 4.851 0.939 1.00 0.00 C ATOM 1233 O GLN A 206 16.564 5.132 0.678 1.00 0.00 O ATOM 1234 CB GLN A 206 14.399 6.625 -0.584 1.00 0.00 C ATOM 1235 CG GLN A 206 13.281 6.915 -1.596 1.00 0.00 C ATOM 1236 CD GLN A 206 13.503 8.238 -2.312 1.00 0.00 C ATOM 1237 OE1 GLN A 206 13.688 8.260 -3.525 1.00 0.00 O ATOM 1238 NE2 GLN A 206 13.490 9.343 -1.575 1.00 0.00 N ATOM 0 H GLN A 206 12.447 5.754 0.627 1.00 0.00 H new ATOM 0 HA GLN A 206 14.515 4.504 -0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 206 14.316 7.304 0.265 1.00 0.00 H new ATOM 0 HB3 GLN A 206 15.371 6.807 -1.043 1.00 0.00 H new ATOM 0 HG2 GLN A 206 13.233 6.108 -2.328 1.00 0.00 H new ATOM 0 HG3 GLN A 206 12.320 6.936 -1.082 1.00 0.00 H new ATOM 0 HE21 GLN A 206 13.333 9.283 -0.569 1.00 0.00 H new ATOM 0 HE22 GLN A 206 13.637 10.251 -2.015 1.00 0.00 H new ATOM 1247 N GLU A 207 15.047 4.251 2.091 1.00 0.00 N ATOM 1248 CA GLU A 207 16.018 3.917 3.128 1.00 0.00 C ATOM 1249 C GLU A 207 17.195 3.147 2.527 1.00 0.00 C ATOM 1250 O GLU A 207 18.350 3.460 2.811 1.00 0.00 O ATOM 1251 CB GLU A 207 15.335 3.144 4.271 1.00 0.00 C ATOM 1252 CG GLU A 207 16.218 2.958 5.517 1.00 0.00 C ATOM 1253 CD GLU A 207 17.383 1.992 5.314 1.00 0.00 C ATOM 1254 OE1 GLU A 207 17.123 0.886 4.793 1.00 0.00 O ATOM 1255 OE2 GLU A 207 18.517 2.384 5.666 1.00 0.00 O ATOM 0 H GLU A 207 14.088 3.989 2.321 1.00 0.00 H new ATOM 0 HA GLU A 207 16.420 4.836 3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 207 14.425 3.671 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 207 15.033 2.163 3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 207 16.612 3.928 5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 207 15.599 2.597 6.338 1.00 0.00 H new