USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 349 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 197 CYS SG : rot 119:sc= 0.912 USER MOD Set 1.2: A 206 CYS SG : rot 127:sc= 0.5 USER MOD Set 1.3: A 212 CYS SG : rot 123:sc= 0.532 USER MOD Set 1.4: A 216 HIS : no HD1:sc= -0.775 X(o=1.2,f=1.2) USER MOD Set 2.1: A 159 CYS SG : rot 116:sc= 0.738 USER MOD Set 2.2: A 168 CYS SG : rot 125:sc= 0.547 USER MOD Set 2.3: A 174 CYS SG : rot 127:sc= 0.649 USER MOD Set 2.4: A 178 HIS : no HD1:sc= -0.32 X(o=1.6,f=1.2) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 175 GLN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 201 HIS : no HD1:sc= 0.246 K(o=0.25,f=-0.82) USER MOD Single : A 202 THR OG1 : rot 85:sc= 0.811 USER MOD Single : A 208 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 155 3.103 9.172 3.173 1.00 0.00 N ATOM 74 CA LYS A 155 2.085 8.873 2.126 1.00 0.00 C ATOM 75 C LYS A 155 2.049 7.349 1.837 1.00 0.00 C ATOM 76 O LYS A 155 1.723 6.942 0.724 1.00 0.00 O ATOM 77 CB LYS A 155 2.424 9.655 0.828 1.00 0.00 C ATOM 78 CG LYS A 155 2.253 11.157 1.138 1.00 0.00 C ATOM 79 CD LYS A 155 2.238 12.059 -0.097 1.00 0.00 C ATOM 80 CE LYS A 155 1.862 13.480 0.335 1.00 0.00 C ATOM 81 NZ LYS A 155 1.870 14.418 -0.806 1.00 0.00 N ATOM 0 HA LYS A 155 1.103 9.184 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 155 3.444 9.443 0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 155 1.764 9.353 0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 155 1.322 11.298 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 155 3.063 11.474 1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 155 3.216 12.057 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 155 1.522 11.685 -0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 155 0.873 13.472 0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 155 2.562 13.826 1.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 1.611 15.369 -0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 2.821 14.445 -1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 1.184 14.101 -1.521 1.00 0.00 H new ATOM 95 N THR A 156 2.309 6.480 2.819 1.00 0.00 N ATOM 96 CA THR A 156 2.172 5.011 2.634 1.00 0.00 C ATOM 97 C THR A 156 0.762 4.565 3.054 1.00 0.00 C ATOM 98 O THR A 156 0.370 3.428 2.784 1.00 0.00 O ATOM 99 CB THR A 156 3.217 4.286 3.499 1.00 0.00 C ATOM 100 OG1 THR A 156 3.135 4.676 4.857 1.00 0.00 O ATOM 101 CG2 THR A 156 4.635 4.615 3.046 1.00 0.00 C ATOM 0 H THR A 156 2.615 6.756 3.752 1.00 0.00 H new ATOM 0 HA THR A 156 2.331 4.763 1.585 1.00 0.00 H new ATOM 0 HB THR A 156 3.004 3.223 3.389 1.00 0.00 H new ATOM 0 HG1 THR A 156 3.812 4.195 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 156 5.350 4.087 3.677 1.00 0.00 H new ATOM 0 HG22 THR A 156 4.767 4.304 2.010 1.00 0.00 H new ATOM 0 HG23 THR A 156 4.803 5.689 3.127 1.00 0.00 H new ATOM 109 N GLU A 157 -0.040 5.419 3.713 1.00 0.00 N ATOM 110 CA GLU A 157 -1.407 5.052 4.150 1.00 0.00 C ATOM 111 C GLU A 157 -2.417 6.067 3.589 1.00 0.00 C ATOM 112 O GLU A 157 -2.074 7.238 3.386 1.00 0.00 O ATOM 113 CB GLU A 157 -1.468 5.053 5.689 1.00 0.00 C ATOM 114 CG GLU A 157 -2.752 4.432 6.247 1.00 0.00 C ATOM 115 CD GLU A 157 -2.754 4.387 7.781 1.00 0.00 C ATOM 116 OE1 GLU A 157 -1.943 3.621 8.352 1.00 0.00 O ATOM 117 OE2 GLU A 157 -3.590 5.106 8.382 1.00 0.00 O ATOM 0 H GLU A 157 0.232 6.371 3.957 1.00 0.00 H new ATOM 0 HA GLU A 157 -1.655 4.058 3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -0.609 4.507 6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -1.383 6.079 6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -3.612 5.006 5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -2.865 3.421 5.855 1.00 0.00 H new ATOM 124 N LEU A 158 -3.662 5.663 3.271 1.00 0.00 N ATOM 125 CA LEU A 158 -4.643 6.561 2.631 1.00 0.00 C ATOM 126 C LEU A 158 -5.021 7.704 3.589 1.00 0.00 C ATOM 127 O LEU A 158 -5.248 7.462 4.778 1.00 0.00 O ATOM 128 CB LEU A 158 -5.906 5.763 2.277 1.00 0.00 C ATOM 129 CG LEU A 158 -5.802 4.826 1.067 1.00 0.00 C ATOM 130 CD1 LEU A 158 -7.010 3.889 1.123 1.00 0.00 C ATOM 131 CD2 LEU A 158 -5.810 5.603 -0.253 1.00 0.00 C ATOM 0 H LEU A 158 -4.012 4.721 3.447 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.202 6.982 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -6.190 5.169 3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -6.716 6.469 2.094 1.00 0.00 H new ATOM 0 HG LEU A 158 -4.862 4.275 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -6.977 3.202 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -6.987 3.321 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -7.928 4.475 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -5.735 4.905 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -6.738 6.169 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -4.963 6.289 -0.277 1.00 0.00 H new ATOM 143 N CYS A 159 -5.233 8.930 3.097 1.00 0.00 N ATOM 144 CA CYS A 159 -5.799 10.006 3.906 1.00 0.00 C ATOM 145 C CYS A 159 -7.314 9.783 4.060 1.00 0.00 C ATOM 146 O CYS A 159 -8.075 10.010 3.110 1.00 0.00 O ATOM 147 CB CYS A 159 -5.537 11.348 3.215 1.00 0.00 C ATOM 148 SG CYS A 159 -5.960 12.757 4.280 1.00 0.00 S ATOM 0 H CYS A 159 -5.018 9.199 2.137 1.00 0.00 H new ATOM 0 HA CYS A 159 -5.335 10.012 4.892 1.00 0.00 H new ATOM 0 HB2 CYS A 159 -4.486 11.411 2.932 1.00 0.00 H new ATOM 0 HB3 CYS A 159 -6.119 11.402 2.295 1.00 0.00 H new ATOM 0 HG CYS A 159 -4.885 13.437 4.547 1.00 0.00 H new ATOM 153 N ARG A 160 -7.797 9.257 5.198 1.00 0.00 N ATOM 154 CA ARG A 160 -9.209 8.840 5.333 1.00 0.00 C ATOM 155 C ARG A 160 -10.144 10.085 5.321 1.00 0.00 C ATOM 156 O ARG A 160 -11.200 10.045 4.689 1.00 0.00 O ATOM 157 CB ARG A 160 -9.398 8.060 6.653 1.00 0.00 C ATOM 158 CG ARG A 160 -8.172 7.266 7.124 1.00 0.00 C ATOM 159 CD ARG A 160 -8.473 6.347 8.309 1.00 0.00 C ATOM 160 NE ARG A 160 -7.227 5.735 8.803 1.00 0.00 N ATOM 161 CZ ARG A 160 -7.102 4.880 9.803 1.00 0.00 C ATOM 162 NH1 ARG A 160 -8.127 4.446 10.490 1.00 0.00 N ATOM 163 NH2 ARG A 160 -5.922 4.436 10.139 1.00 0.00 N ATOM 0 H ARG A 160 -7.235 9.110 6.037 1.00 0.00 H new ATOM 0 HA ARG A 160 -9.468 8.197 4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -9.677 8.765 7.436 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -10.233 7.370 6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -7.793 6.668 6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -7.381 7.962 7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -8.950 6.915 9.108 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -9.175 5.569 8.007 1.00 0.00 H new ATOM 0 HE ARG A 160 -6.368 6.000 8.321 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -9.067 4.768 10.261 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -7.986 3.786 11.255 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -5.095 4.749 9.630 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -5.826 3.776 10.911 1.00 0.00 H new ATOM 177 N PRO A 161 -9.804 11.219 6.003 1.00 0.00 N ATOM 178 CA PRO A 161 -10.692 12.396 6.034 1.00 0.00 C ATOM 179 C PRO A 161 -10.870 12.953 4.606 1.00 0.00 C ATOM 180 O PRO A 161 -11.960 13.414 4.256 1.00 0.00 O ATOM 181 CB PRO A 161 -10.077 13.469 6.935 1.00 0.00 C ATOM 182 CG PRO A 161 -8.619 13.054 7.033 1.00 0.00 C ATOM 183 CD PRO A 161 -8.645 11.535 6.849 1.00 0.00 C ATOM 0 HA PRO A 161 -11.667 12.106 6.426 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -10.183 14.465 6.504 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -10.555 13.493 7.915 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -8.015 13.537 6.265 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -8.191 13.331 7.996 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -7.723 11.188 6.383 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -8.724 11.032 7.813 1.00 0.00 H new ATOM 191 N PHE A 162 -9.856 12.876 3.724 1.00 0.00 N ATOM 192 CA PHE A 162 -9.997 13.324 2.332 1.00 0.00 C ATOM 193 C PHE A 162 -10.940 12.370 1.571 1.00 0.00 C ATOM 194 O PHE A 162 -11.766 12.822 0.785 1.00 0.00 O ATOM 195 CB PHE A 162 -8.621 13.333 1.656 1.00 0.00 C ATOM 196 CG PHE A 162 -8.657 13.799 0.214 1.00 0.00 C ATOM 197 CD1 PHE A 162 -8.631 15.176 -0.082 1.00 0.00 C ATOM 198 CD2 PHE A 162 -8.751 12.862 -0.833 1.00 0.00 C ATOM 199 CE1 PHE A 162 -8.702 15.613 -1.417 1.00 0.00 C ATOM 200 CE2 PHE A 162 -8.826 13.299 -2.168 1.00 0.00 C ATOM 201 CZ PHE A 162 -8.800 14.675 -2.460 1.00 0.00 C ATOM 0 H PHE A 162 -8.933 12.508 3.953 1.00 0.00 H new ATOM 0 HA PHE A 162 -10.416 14.330 2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -7.952 13.981 2.222 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -8.200 12.328 1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -8.556 15.898 0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -8.766 11.805 -0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -8.681 16.669 -1.641 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.904 12.578 -2.969 1.00 0.00 H new ATOM 0 HZ PHE A 162 -8.855 15.011 -3.485 1.00 0.00 H new ATOM 211 N GLU A 163 -10.867 11.054 1.779 1.00 0.00 N ATOM 212 CA GLU A 163 -11.779 10.104 1.109 1.00 0.00 C ATOM 213 C GLU A 163 -13.231 10.334 1.596 1.00 0.00 C ATOM 214 O GLU A 163 -14.178 10.078 0.848 1.00 0.00 O ATOM 215 CB GLU A 163 -11.353 8.666 1.439 1.00 0.00 C ATOM 216 CG GLU A 163 -10.070 8.240 0.717 1.00 0.00 C ATOM 217 CD GLU A 163 -9.742 6.781 1.050 1.00 0.00 C ATOM 218 OE1 GLU A 163 -9.377 6.512 2.220 1.00 0.00 O ATOM 219 OE2 GLU A 163 -9.876 5.928 0.141 1.00 0.00 O ATOM 0 H GLU A 163 -10.190 10.615 2.403 1.00 0.00 H new ATOM 0 HA GLU A 163 -11.732 10.263 0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 163 -11.205 8.575 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 163 -12.159 7.983 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 163 -10.193 8.357 -0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 163 -9.243 8.885 1.016 1.00 0.00 H new ATOM 226 N GLU A 164 -13.459 10.785 2.838 1.00 0.00 N ATOM 227 CA GLU A 164 -14.828 10.923 3.379 1.00 0.00 C ATOM 228 C GLU A 164 -15.423 12.298 2.984 1.00 0.00 C ATOM 229 O GLU A 164 -16.613 12.384 2.667 1.00 0.00 O ATOM 230 CB GLU A 164 -14.786 10.806 4.914 1.00 0.00 C ATOM 231 CG GLU A 164 -14.512 9.375 5.406 1.00 0.00 C ATOM 232 CD GLU A 164 -15.680 8.424 5.110 1.00 0.00 C ATOM 233 OE1 GLU A 164 -16.659 8.428 5.897 1.00 0.00 O ATOM 234 OE2 GLU A 164 -15.605 7.692 4.094 1.00 0.00 O ATOM 0 H GLU A 164 -12.721 11.060 3.487 1.00 0.00 H new ATOM 0 HA GLU A 164 -15.454 10.133 2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -14.014 11.470 5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -15.736 11.148 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -13.608 8.996 4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -14.323 9.392 6.479 1.00 0.00 H new ATOM 241 N SER A 165 -14.658 13.404 3.042 1.00 0.00 N ATOM 242 CA SER A 165 -15.233 14.773 2.863 1.00 0.00 C ATOM 243 C SER A 165 -14.645 15.441 1.600 1.00 0.00 C ATOM 244 O SER A 165 -15.119 16.505 1.195 1.00 0.00 O ATOM 245 CB SER A 165 -14.908 15.630 4.093 1.00 0.00 C ATOM 246 OG SER A 165 -15.518 15.103 5.261 1.00 0.00 O ATOM 0 H SER A 165 -13.652 13.390 3.209 1.00 0.00 H new ATOM 0 HA SER A 165 -16.314 14.689 2.748 1.00 0.00 H new ATOM 0 HB2 SER A 165 -13.828 15.676 4.233 1.00 0.00 H new ATOM 0 HB3 SER A 165 -15.252 16.651 3.929 1.00 0.00 H new ATOM 0 HG SER A 165 -15.293 15.667 6.030 1.00 0.00 H new ATOM 252 N GLY A 166 -13.662 14.843 0.916 1.00 0.00 N ATOM 253 CA GLY A 166 -13.161 15.378 -0.371 1.00 0.00 C ATOM 254 C GLY A 166 -12.243 16.595 -0.121 1.00 0.00 C ATOM 255 O GLY A 166 -11.847 17.271 -1.074 1.00 0.00 O ATOM 0 H GLY A 166 -13.194 13.991 1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 166 -12.612 14.603 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -14.000 15.670 -1.003 1.00 0.00 H new ATOM 259 N THR A 167 -11.882 16.919 1.133 1.00 0.00 N ATOM 260 CA THR A 167 -10.997 18.068 1.424 1.00 0.00 C ATOM 261 C THR A 167 -10.005 17.687 2.524 1.00 0.00 C ATOM 262 O THR A 167 -10.268 16.760 3.300 1.00 0.00 O ATOM 263 CB THR A 167 -11.847 19.269 1.886 1.00 0.00 C ATOM 264 OG1 THR A 167 -11.030 20.415 2.001 1.00 0.00 O ATOM 265 CG2 THR A 167 -12.581 19.082 3.219 1.00 0.00 C ATOM 0 H THR A 167 -12.186 16.406 1.960 1.00 0.00 H new ATOM 0 HA THR A 167 -10.448 18.339 0.522 1.00 0.00 H new ATOM 0 HB THR A 167 -12.614 19.374 1.119 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.574 21.176 2.293 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.148 19.983 3.451 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.262 18.234 3.144 1.00 0.00 H new ATOM 0 HG23 THR A 167 -11.855 18.896 4.011 1.00 0.00 H new ATOM 273 N CYS A 168 -8.858 18.370 2.652 1.00 0.00 N ATOM 274 CA CYS A 168 -7.881 18.068 3.699 1.00 0.00 C ATOM 275 C CYS A 168 -7.233 19.372 4.189 1.00 0.00 C ATOM 276 O CYS A 168 -6.699 20.142 3.380 1.00 0.00 O ATOM 277 CB CYS A 168 -6.803 17.135 3.135 1.00 0.00 C ATOM 278 SG CYS A 168 -5.781 16.553 4.512 1.00 0.00 S ATOM 0 H CYS A 168 -8.587 19.138 2.038 1.00 0.00 H new ATOM 0 HA CYS A 168 -8.381 17.579 4.535 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -7.262 16.292 2.620 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -6.190 17.661 2.403 1.00 0.00 H new ATOM 0 HG CYS A 168 -5.757 15.253 4.515 1.00 0.00 H new ATOM 283 N LYS A 169 -7.265 19.680 5.494 1.00 0.00 N ATOM 284 CA LYS A 169 -6.724 20.956 6.018 1.00 0.00 C ATOM 285 C LYS A 169 -5.195 20.964 5.908 1.00 0.00 C ATOM 286 O LYS A 169 -4.578 22.026 6.005 1.00 0.00 O ATOM 287 CB LYS A 169 -7.130 21.117 7.494 1.00 0.00 C ATOM 288 CG LYS A 169 -8.639 21.012 7.770 1.00 0.00 C ATOM 289 CD LYS A 169 -8.954 21.087 9.272 1.00 0.00 C ATOM 290 CE LYS A 169 -8.451 19.851 10.034 1.00 0.00 C ATOM 291 NZ LYS A 169 -8.818 19.925 11.464 1.00 0.00 N ATOM 0 H LYS A 169 -7.658 19.068 6.210 1.00 0.00 H new ATOM 0 HA LYS A 169 -7.129 21.781 5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -6.615 20.357 8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -6.778 22.086 7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -9.160 21.816 7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -9.017 20.073 7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -8.496 21.982 9.693 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -10.031 21.184 9.411 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -8.875 18.949 9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -7.368 19.775 9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -8.467 19.079 11.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -8.393 20.774 11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -9.853 19.974 11.555 1.00 0.00 H new ATOM 305 N TYR A 170 -4.534 19.819 5.721 1.00 0.00 N ATOM 306 CA TYR A 170 -3.068 19.770 5.639 1.00 0.00 C ATOM 307 C TYR A 170 -2.613 20.062 4.191 1.00 0.00 C ATOM 308 O TYR A 170 -1.489 20.521 3.979 1.00 0.00 O ATOM 309 CB TYR A 170 -2.583 18.382 6.061 1.00 0.00 C ATOM 310 CG TYR A 170 -2.555 18.221 7.566 1.00 0.00 C ATOM 311 CD1 TYR A 170 -3.748 18.033 8.292 1.00 0.00 C ATOM 312 CD2 TYR A 170 -1.329 18.337 8.247 1.00 0.00 C ATOM 313 CE1 TYR A 170 -3.723 17.994 9.700 1.00 0.00 C ATOM 314 CE2 TYR A 170 -1.303 18.316 9.651 1.00 0.00 C ATOM 315 CZ TYR A 170 -2.497 18.145 10.384 1.00 0.00 C ATOM 316 OH TYR A 170 -2.459 18.131 11.744 1.00 0.00 O ATOM 0 H TYR A 170 -4.989 18.911 5.623 1.00 0.00 H new ATOM 0 HA TYR A 170 -2.644 20.522 6.304 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -3.235 17.624 5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.584 18.210 5.660 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -4.685 17.918 7.767 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -0.409 18.442 7.691 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.638 17.849 10.254 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -0.364 18.431 10.173 1.00 0.00 H new ATOM 0 HH TYR A 170 -1.534 18.247 12.047 1.00 0.00 H new ATOM 326 N GLY A 171 -3.461 19.857 3.172 1.00 0.00 N ATOM 327 CA GLY A 171 -3.122 20.217 1.783 1.00 0.00 C ATOM 328 C GLY A 171 -1.839 19.488 1.347 1.00 0.00 C ATOM 329 O GLY A 171 -1.704 18.285 1.574 1.00 0.00 O ATOM 0 H GLY A 171 -4.387 19.444 3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.944 19.951 1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -2.983 21.295 1.702 1.00 0.00 H new ATOM 333 N GLU A 172 -0.882 20.162 0.697 1.00 0.00 N ATOM 334 CA GLU A 172 0.330 19.496 0.162 1.00 0.00 C ATOM 335 C GLU A 172 1.272 19.095 1.321 1.00 0.00 C ATOM 336 O GLU A 172 2.279 18.420 1.089 1.00 0.00 O ATOM 337 CB GLU A 172 1.069 20.463 -0.786 1.00 0.00 C ATOM 338 CG GLU A 172 0.405 20.645 -2.162 1.00 0.00 C ATOM 339 CD GLU A 172 -0.978 21.311 -2.107 1.00 0.00 C ATOM 340 OE1 GLU A 172 -1.098 22.381 -1.462 1.00 0.00 O ATOM 341 OE2 GLU A 172 -1.928 20.747 -2.701 1.00 0.00 O ATOM 0 H GLU A 172 -0.916 21.167 0.525 1.00 0.00 H new ATOM 0 HA GLU A 172 0.033 18.600 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 172 1.145 21.437 -0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 172 2.086 20.100 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 172 1.060 21.245 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 172 0.308 19.670 -2.639 1.00 0.00 H new ATOM 348 N LYS A 173 0.978 19.457 2.583 1.00 0.00 N ATOM 349 CA LYS A 173 1.825 19.068 3.730 1.00 0.00 C ATOM 350 C LYS A 173 1.257 17.798 4.393 1.00 0.00 C ATOM 351 O LYS A 173 1.839 17.300 5.360 1.00 0.00 O ATOM 352 CB LYS A 173 1.858 20.216 4.759 1.00 0.00 C ATOM 353 CG LYS A 173 2.436 21.542 4.235 1.00 0.00 C ATOM 354 CD LYS A 173 3.910 21.429 3.820 1.00 0.00 C ATOM 355 CE LYS A 173 4.479 22.818 3.517 1.00 0.00 C ATOM 356 NZ LYS A 173 5.893 22.740 3.092 1.00 0.00 N ATOM 0 H LYS A 173 0.164 20.016 2.836 1.00 0.00 H new ATOM 0 HA LYS A 173 2.836 18.866 3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 173 0.843 20.395 5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 173 2.445 19.896 5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 173 1.848 21.876 3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 173 2.339 22.305 5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 173 4.485 20.958 4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 173 4.001 20.791 2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 173 3.888 23.292 2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 173 4.398 23.447 4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 6.249 23.697 2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 6.460 22.309 3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 5.966 22.159 2.232 1.00 0.00 H new ATOM 370 N CYS A 174 0.130 17.238 3.922 1.00 0.00 N ATOM 371 CA CYS A 174 -0.465 16.053 4.544 1.00 0.00 C ATOM 372 C CYS A 174 0.466 14.845 4.353 1.00 0.00 C ATOM 373 O CYS A 174 0.904 14.570 3.229 1.00 0.00 O ATOM 374 CB CYS A 174 -1.821 15.765 3.901 1.00 0.00 C ATOM 375 SG CYS A 174 -2.707 14.518 4.873 1.00 0.00 S ATOM 0 H CYS A 174 -0.383 17.590 3.114 1.00 0.00 H new ATOM 0 HA CYS A 174 -0.602 16.235 5.610 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -2.409 16.681 3.844 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -1.682 15.412 2.879 1.00 0.00 H new ATOM 0 HG CYS A 174 -3.894 14.959 5.167 1.00 0.00 H new ATOM 380 N GLN A 175 0.817 14.111 5.410 1.00 0.00 N ATOM 381 CA GLN A 175 1.741 12.981 5.304 1.00 0.00 C ATOM 382 C GLN A 175 0.979 11.714 4.837 1.00 0.00 C ATOM 383 O GLN A 175 1.515 10.613 4.927 1.00 0.00 O ATOM 384 CB GLN A 175 2.382 12.716 6.678 1.00 0.00 C ATOM 385 CG GLN A 175 3.256 13.886 7.160 1.00 0.00 C ATOM 386 CD GLN A 175 4.189 13.544 8.330 1.00 0.00 C ATOM 387 OE1 GLN A 175 5.146 14.259 8.607 1.00 0.00 O ATOM 388 NE2 GLN A 175 4.006 12.454 9.048 1.00 0.00 N ATOM 0 H GLN A 175 0.473 14.281 6.355 1.00 0.00 H new ATOM 0 HA GLN A 175 2.516 13.219 4.576 1.00 0.00 H new ATOM 0 HB2 GLN A 175 1.597 12.528 7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 175 2.989 11.813 6.623 1.00 0.00 H new ATOM 0 HG2 GLN A 175 3.858 14.242 6.324 1.00 0.00 H new ATOM 0 HG3 GLN A 175 2.607 14.709 7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 175 3.220 11.836 8.846 1.00 0.00 H new ATOM 0 HE22 GLN A 175 4.650 12.229 9.806 1.00 0.00 H new ATOM 397 N PHE A 176 -0.275 11.818 4.363 1.00 0.00 N ATOM 398 CA PHE A 176 -1.073 10.631 3.976 1.00 0.00 C ATOM 399 C PHE A 176 -1.517 10.753 2.500 1.00 0.00 C ATOM 400 O PHE A 176 -1.407 11.831 1.907 1.00 0.00 O ATOM 401 CB PHE A 176 -2.305 10.529 4.885 1.00 0.00 C ATOM 402 CG PHE A 176 -1.935 10.302 6.345 1.00 0.00 C ATOM 403 CD1 PHE A 176 -1.689 11.391 7.205 1.00 0.00 C ATOM 404 CD2 PHE A 176 -1.774 8.991 6.828 1.00 0.00 C ATOM 405 CE1 PHE A 176 -1.286 11.168 8.535 1.00 0.00 C ATOM 406 CE2 PHE A 176 -1.372 8.766 8.158 1.00 0.00 C ATOM 407 CZ PHE A 176 -1.135 9.856 9.012 1.00 0.00 C ATOM 0 H PHE A 176 -0.760 12.706 4.237 1.00 0.00 H new ATOM 0 HA PHE A 176 -0.465 9.734 4.087 1.00 0.00 H new ATOM 0 HB2 PHE A 176 -2.892 11.444 4.800 1.00 0.00 H new ATOM 0 HB3 PHE A 176 -2.939 9.711 4.543 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.810 12.401 6.842 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.960 8.152 6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -1.093 12.006 9.189 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -1.246 7.757 8.521 1.00 0.00 H new ATOM 0 HZ PHE A 176 -0.837 9.685 10.036 1.00 0.00 H new ATOM 417 N ALA A 177 -1.923 9.661 1.839 1.00 0.00 N ATOM 418 CA ALA A 177 -2.156 9.662 0.384 1.00 0.00 C ATOM 419 C ALA A 177 -3.578 10.182 0.076 1.00 0.00 C ATOM 420 O ALA A 177 -4.563 9.529 0.430 1.00 0.00 O ATOM 421 CB ALA A 177 -2.009 8.232 -0.150 1.00 0.00 C ATOM 0 H ALA A 177 -2.098 8.762 2.288 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.427 10.314 -0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -2.180 8.226 -1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.004 7.867 0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -2.739 7.585 0.337 1.00 0.00 H new ATOM 427 N HIS A 178 -3.737 11.277 -0.672 1.00 0.00 N ATOM 428 CA HIS A 178 -5.063 11.701 -1.166 1.00 0.00 C ATOM 429 C HIS A 178 -5.432 10.885 -2.427 1.00 0.00 C ATOM 430 O HIS A 178 -6.618 10.686 -2.705 1.00 0.00 O ATOM 431 CB HIS A 178 -5.026 13.201 -1.512 1.00 0.00 C ATOM 432 CG HIS A 178 -4.639 14.062 -0.333 1.00 0.00 C ATOM 433 ND1 HIS A 178 -3.711 15.081 -0.325 1.00 0.00 N ATOM 434 CD2 HIS A 178 -5.076 13.893 0.952 1.00 0.00 C ATOM 435 CE1 HIS A 178 -3.583 15.499 0.947 1.00 0.00 C ATOM 436 NE2 HIS A 178 -4.381 14.790 1.762 1.00 0.00 N ATOM 0 H HIS A 178 -2.970 11.889 -0.952 1.00 0.00 H new ATOM 0 HA HIS A 178 -5.811 11.526 -0.393 1.00 0.00 H new ATOM 0 HB2 HIS A 178 -4.318 13.365 -2.324 1.00 0.00 H new ATOM 0 HB3 HIS A 178 -6.006 13.510 -1.876 1.00 0.00 H new ATOM 0 HD2 HIS A 178 -5.826 13.189 1.281 1.00 0.00 H new ATOM 0 HE1 HIS A 178 -2.928 16.295 1.269 1.00 0.00 H new ATOM 0 HE2 HIS A 178 -4.463 14.888 2.774 1.00 0.00 H new ATOM 444 N GLY A 179 -4.462 10.350 -3.185 1.00 0.00 N ATOM 445 CA GLY A 179 -4.754 9.460 -4.329 1.00 0.00 C ATOM 446 C GLY A 179 -3.788 8.267 -4.315 1.00 0.00 C ATOM 447 O GLY A 179 -2.676 8.379 -3.795 1.00 0.00 O ATOM 0 H GLY A 179 -3.468 10.516 -3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 179 -5.784 9.107 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 179 -4.655 10.010 -5.265 1.00 0.00 H new ATOM 724 N GLU A 195 3.439 -16.092 10.744 1.00 0.00 N ATOM 725 CA GLU A 195 2.909 -16.867 11.890 1.00 0.00 C ATOM 726 C GLU A 195 1.489 -16.366 12.252 1.00 0.00 C ATOM 727 O GLU A 195 1.132 -15.228 11.929 1.00 0.00 O ATOM 728 CB GLU A 195 3.840 -16.691 13.100 1.00 0.00 C ATOM 729 CG GLU A 195 5.188 -17.396 12.889 1.00 0.00 C ATOM 730 CD GLU A 195 6.082 -17.260 14.127 1.00 0.00 C ATOM 731 OE1 GLU A 195 5.842 -18.003 15.110 1.00 0.00 O ATOM 732 OE2 GLU A 195 7.013 -16.420 14.097 1.00 0.00 O ATOM 0 HA GLU A 195 2.858 -17.921 11.618 1.00 0.00 H new ATOM 0 HB2 GLU A 195 4.009 -15.629 13.277 1.00 0.00 H new ATOM 0 HB3 GLU A 195 3.357 -17.090 13.992 1.00 0.00 H new ATOM 0 HG2 GLU A 195 5.020 -18.451 12.672 1.00 0.00 H new ATOM 0 HG3 GLU A 195 5.694 -16.969 12.023 1.00 0.00 H new ATOM 739 N LEU A 196 0.649 -17.176 12.920 1.00 0.00 N ATOM 740 CA LEU A 196 -0.721 -16.764 13.284 1.00 0.00 C ATOM 741 C LEU A 196 -0.673 -15.633 14.324 1.00 0.00 C ATOM 742 O LEU A 196 0.122 -15.693 15.274 1.00 0.00 O ATOM 743 CB LEU A 196 -1.478 -17.970 13.875 1.00 0.00 C ATOM 744 CG LEU A 196 -1.651 -19.184 12.942 1.00 0.00 C ATOM 745 CD1 LEU A 196 -2.462 -20.264 13.660 1.00 0.00 C ATOM 746 CD2 LEU A 196 -2.367 -18.834 11.636 1.00 0.00 C ATOM 0 H LEU A 196 0.893 -18.120 13.219 1.00 0.00 H new ATOM 0 HA LEU A 196 -1.235 -16.407 12.392 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -0.953 -18.299 14.772 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.467 -17.635 14.189 1.00 0.00 H new ATOM 0 HG LEU A 196 -0.650 -19.535 12.692 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.586 -21.124 13.002 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -1.937 -20.572 14.565 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.442 -19.867 13.926 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.459 -19.729 11.021 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.360 -18.443 11.859 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -1.793 -18.081 11.097 1.00 0.00 H new ATOM 758 N CYS A 197 -1.530 -14.614 14.230 1.00 0.00 N ATOM 759 CA CYS A 197 -1.604 -13.561 15.239 1.00 0.00 C ATOM 760 C CYS A 197 -2.204 -14.127 16.536 1.00 0.00 C ATOM 761 O CYS A 197 -3.380 -14.509 16.565 1.00 0.00 O ATOM 762 CB CYS A 197 -2.478 -12.418 14.719 1.00 0.00 C ATOM 763 SG CYS A 197 -2.584 -11.040 15.898 1.00 0.00 S ATOM 0 H CYS A 197 -2.186 -14.498 13.458 1.00 0.00 H new ATOM 0 HA CYS A 197 -0.602 -13.185 15.445 1.00 0.00 H new ATOM 0 HB2 CYS A 197 -2.073 -12.055 13.774 1.00 0.00 H new ATOM 0 HB3 CYS A 197 -3.480 -12.795 14.513 1.00 0.00 H new ATOM 0 HG CYS A 197 -2.104 -9.963 15.351 1.00 0.00 H new ATOM 768 N ARG A 198 -1.445 -14.193 17.629 1.00 0.00 N ATOM 769 CA ARG A 198 -1.955 -14.693 18.925 1.00 0.00 C ATOM 770 C ARG A 198 -3.175 -13.878 19.352 1.00 0.00 C ATOM 771 O ARG A 198 -4.190 -14.452 19.730 1.00 0.00 O ATOM 772 CB ARG A 198 -0.853 -14.571 19.994 1.00 0.00 C ATOM 773 CG ARG A 198 0.174 -15.710 19.908 1.00 0.00 C ATOM 774 CD ARG A 198 1.504 -15.355 20.589 1.00 0.00 C ATOM 775 NE ARG A 198 1.345 -15.028 22.019 1.00 0.00 N ATOM 776 CZ ARG A 198 2.126 -14.234 22.735 1.00 0.00 C ATOM 777 NH1 ARG A 198 3.171 -13.624 22.236 1.00 0.00 N ATOM 778 NH2 ARG A 198 1.869 -14.029 23.999 1.00 0.00 N ATOM 0 H ARG A 198 -0.466 -13.906 17.652 1.00 0.00 H new ATOM 0 HA ARG A 198 -2.243 -15.739 18.817 1.00 0.00 H new ATOM 0 HB2 ARG A 198 -0.342 -13.615 19.878 1.00 0.00 H new ATOM 0 HB3 ARG A 198 -1.309 -14.571 20.984 1.00 0.00 H new ATOM 0 HG2 ARG A 198 -0.241 -16.605 20.372 1.00 0.00 H new ATOM 0 HG3 ARG A 198 0.358 -15.950 18.861 1.00 0.00 H new ATOM 0 HD2 ARG A 198 2.194 -16.193 20.487 1.00 0.00 H new ATOM 0 HD3 ARG A 198 1.955 -14.506 20.075 1.00 0.00 H new ATOM 0 HE ARG A 198 0.556 -15.456 22.504 1.00 0.00 H new ATOM 0 HH11 ARG A 198 3.415 -13.751 21.254 1.00 0.00 H new ATOM 0 HH12 ARG A 198 3.742 -13.022 22.829 1.00 0.00 H new ATOM 0 HH21 ARG A 198 1.066 -14.481 24.436 1.00 0.00 H new ATOM 0 HH22 ARG A 198 2.472 -13.417 24.549 1.00 0.00 H new ATOM 792 N THR A 199 -3.137 -12.543 19.311 1.00 0.00 N ATOM 793 CA THR A 199 -4.284 -11.710 19.735 1.00 0.00 C ATOM 794 C THR A 199 -5.527 -12.059 18.896 1.00 0.00 C ATOM 795 O THR A 199 -6.590 -12.319 19.460 1.00 0.00 O ATOM 796 CB THR A 199 -3.937 -10.218 19.549 1.00 0.00 C ATOM 797 OG1 THR A 199 -2.613 -9.962 19.987 1.00 0.00 O ATOM 798 CG2 THR A 199 -4.840 -9.316 20.385 1.00 0.00 C ATOM 0 H THR A 199 -2.329 -12.009 18.990 1.00 0.00 H new ATOM 0 HA THR A 199 -4.497 -11.906 20.786 1.00 0.00 H new ATOM 0 HB THR A 199 -4.064 -10.006 18.487 1.00 0.00 H new ATOM 0 HG1 THR A 199 -2.405 -9.013 19.862 1.00 0.00 H new ATOM 0 HG21 THR A 199 -4.562 -8.274 20.225 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.878 -9.465 20.088 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.726 -9.564 21.440 1.00 0.00 H new ATOM 806 N PHE A 200 -5.449 -12.119 17.561 1.00 0.00 N ATOM 807 CA PHE A 200 -6.637 -12.388 16.724 1.00 0.00 C ATOM 808 C PHE A 200 -7.124 -13.840 16.946 1.00 0.00 C ATOM 809 O PHE A 200 -8.330 -14.075 17.029 1.00 0.00 O ATOM 810 CB PHE A 200 -6.280 -12.182 15.249 1.00 0.00 C ATOM 811 CG PHE A 200 -7.465 -12.227 14.308 1.00 0.00 C ATOM 812 CD1 PHE A 200 -8.244 -11.073 14.109 1.00 0.00 C ATOM 813 CD2 PHE A 200 -7.789 -13.419 13.628 1.00 0.00 C ATOM 814 CE1 PHE A 200 -9.348 -11.109 13.240 1.00 0.00 C ATOM 815 CE2 PHE A 200 -8.893 -13.454 12.758 1.00 0.00 C ATOM 816 CZ PHE A 200 -9.675 -12.301 12.567 1.00 0.00 C ATOM 0 H PHE A 200 -4.585 -11.987 17.035 1.00 0.00 H new ATOM 0 HA PHE A 200 -7.435 -11.701 17.004 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -5.781 -11.219 15.139 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -5.565 -12.948 14.950 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -7.993 -10.158 14.625 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -7.189 -14.305 13.775 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -9.945 -10.222 13.089 1.00 0.00 H new ATOM 0 HE2 PHE A 200 -9.140 -14.367 12.236 1.00 0.00 H new ATOM 0 HZ PHE A 200 -10.527 -12.330 11.904 1.00 0.00 H new ATOM 826 N HIS A 201 -6.243 -14.831 17.055 1.00 0.00 N ATOM 827 CA HIS A 201 -6.667 -16.245 17.216 1.00 0.00 C ATOM 828 C HIS A 201 -6.999 -16.543 18.712 1.00 0.00 C ATOM 829 O HIS A 201 -7.502 -17.625 19.024 1.00 0.00 O ATOM 830 CB HIS A 201 -5.538 -17.175 16.737 1.00 0.00 C ATOM 831 CG HIS A 201 -5.493 -17.241 15.221 1.00 0.00 C ATOM 832 ND1 HIS A 201 -6.025 -18.278 14.450 1.00 0.00 N ATOM 833 CD2 HIS A 201 -5.065 -16.253 14.379 1.00 0.00 C ATOM 834 CE1 HIS A 201 -5.902 -17.895 13.167 1.00 0.00 C ATOM 835 NE2 HIS A 201 -5.329 -16.680 13.096 1.00 0.00 N ATOM 0 H HIS A 201 -5.232 -14.696 17.036 1.00 0.00 H new ATOM 0 HA HIS A 201 -7.562 -16.419 16.618 1.00 0.00 H new ATOM 0 HB2 HIS A 201 -4.581 -16.817 17.117 1.00 0.00 H new ATOM 0 HB3 HIS A 201 -5.689 -18.175 17.144 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -4.608 -15.317 14.665 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -6.218 -18.479 12.315 1.00 0.00 H new ATOM 0 HE2 HIS A 201 -5.125 -16.164 12.240 1.00 0.00 H new ATOM 843 N THR A 202 -6.808 -15.596 19.648 1.00 0.00 N ATOM 844 CA THR A 202 -7.195 -15.803 21.080 1.00 0.00 C ATOM 845 C THR A 202 -8.388 -14.901 21.436 1.00 0.00 C ATOM 846 O THR A 202 -9.447 -15.408 21.815 1.00 0.00 O ATOM 847 CB THR A 202 -6.001 -15.470 21.997 1.00 0.00 C ATOM 848 OG1 THR A 202 -4.900 -16.294 21.684 1.00 0.00 O ATOM 849 CG2 THR A 202 -6.311 -15.700 23.477 1.00 0.00 C ATOM 0 H THR A 202 -6.393 -14.684 19.455 1.00 0.00 H new ATOM 0 HA THR A 202 -7.479 -16.845 21.224 1.00 0.00 H new ATOM 0 HB THR A 202 -5.783 -14.415 21.829 1.00 0.00 H new ATOM 0 HG1 THR A 202 -4.395 -15.898 20.943 1.00 0.00 H new ATOM 0 HG21 THR A 202 -5.435 -15.450 24.075 1.00 0.00 H new ATOM 0 HG22 THR A 202 -7.147 -15.068 23.776 1.00 0.00 H new ATOM 0 HG23 THR A 202 -6.572 -16.746 23.636 1.00 0.00 H new ATOM 857 N ILE A 203 -8.281 -13.569 21.342 1.00 0.00 N ATOM 858 CA ILE A 203 -9.402 -12.665 21.703 1.00 0.00 C ATOM 859 C ILE A 203 -10.447 -12.654 20.563 1.00 0.00 C ATOM 860 O ILE A 203 -11.549 -12.132 20.743 1.00 0.00 O ATOM 861 CB ILE A 203 -8.861 -11.219 21.931 1.00 0.00 C ATOM 862 CG1 ILE A 203 -7.480 -11.186 22.634 1.00 0.00 C ATOM 863 CG2 ILE A 203 -9.878 -10.448 22.801 1.00 0.00 C ATOM 864 CD1 ILE A 203 -7.006 -9.817 23.144 1.00 0.00 C ATOM 0 H ILE A 203 -7.440 -13.088 21.023 1.00 0.00 H new ATOM 0 HA ILE A 203 -9.870 -13.022 22.620 1.00 0.00 H new ATOM 0 HB ILE A 203 -8.732 -10.762 20.950 1.00 0.00 H new ATOM 0 HG12 ILE A 203 -7.510 -11.874 23.479 1.00 0.00 H new ATOM 0 HG13 ILE A 203 -6.733 -11.569 21.938 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -9.516 -9.434 22.971 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -10.839 -10.409 22.289 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -9.997 -10.956 23.758 1.00 0.00 H new ATOM 0 HD11 ILE A 203 -6.029 -9.923 23.616 1.00 0.00 H new ATOM 0 HD12 ILE A 203 -6.931 -9.123 22.307 1.00 0.00 H new ATOM 0 HD13 ILE A 203 -7.721 -9.432 23.872 1.00 0.00 H new ATOM 876 N GLY A 204 -10.150 -13.205 19.376 1.00 0.00 N ATOM 877 CA GLY A 204 -11.063 -13.117 18.222 1.00 0.00 C ATOM 878 C GLY A 204 -10.953 -11.722 17.583 1.00 0.00 C ATOM 879 O GLY A 204 -11.767 -11.369 16.726 1.00 0.00 O ATOM 0 H GLY A 204 -9.287 -13.716 19.189 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -10.814 -13.885 17.489 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -12.089 -13.302 18.542 1.00 0.00 H new ATOM 883 N PHE A 205 -9.992 -10.878 17.993 1.00 0.00 N ATOM 884 CA PHE A 205 -9.880 -9.510 17.482 1.00 0.00 C ATOM 885 C PHE A 205 -8.420 -9.035 17.606 1.00 0.00 C ATOM 886 O PHE A 205 -7.640 -9.631 18.351 1.00 0.00 O ATOM 887 CB PHE A 205 -10.792 -8.585 18.305 1.00 0.00 C ATOM 888 CG PHE A 205 -10.745 -7.128 17.886 1.00 0.00 C ATOM 889 CD1 PHE A 205 -11.164 -6.753 16.594 1.00 0.00 C ATOM 890 CD2 PHE A 205 -10.213 -6.159 18.758 1.00 0.00 C ATOM 891 CE1 PHE A 205 -11.050 -5.414 16.177 1.00 0.00 C ATOM 892 CE2 PHE A 205 -10.100 -4.821 18.341 1.00 0.00 C ATOM 893 CZ PHE A 205 -10.517 -4.449 17.050 1.00 0.00 C ATOM 0 H PHE A 205 -9.280 -11.125 18.681 1.00 0.00 H new ATOM 0 HA PHE A 205 -10.182 -9.484 16.435 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -11.819 -8.941 18.224 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.511 -8.658 19.356 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -11.573 -7.494 15.923 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -9.891 -6.444 19.749 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.372 -5.127 15.187 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -9.693 -4.079 19.012 1.00 0.00 H new ATOM 0 HZ PHE A 205 -10.428 -3.422 16.729 1.00 0.00 H new ATOM 903 N CYS A 206 -8.015 -7.944 16.941 1.00 0.00 N ATOM 904 CA CYS A 206 -6.657 -7.412 17.069 1.00 0.00 C ATOM 905 C CYS A 206 -6.684 -5.875 16.902 1.00 0.00 C ATOM 906 O CYS A 206 -7.246 -5.370 15.920 1.00 0.00 O ATOM 907 CB CYS A 206 -5.767 -8.033 15.992 1.00 0.00 C ATOM 908 SG CYS A 206 -4.036 -7.549 16.208 1.00 0.00 S ATOM 0 H CYS A 206 -8.613 -7.413 16.308 1.00 0.00 H new ATOM 0 HA CYS A 206 -6.260 -7.658 18.054 1.00 0.00 H new ATOM 0 HB2 CYS A 206 -5.850 -9.119 16.030 1.00 0.00 H new ATOM 0 HB3 CYS A 206 -6.114 -7.721 15.007 1.00 0.00 H new ATOM 0 HG CYS A 206 -3.290 -8.613 16.250 1.00 0.00 H new ATOM 913 N PRO A 207 -6.099 -5.084 17.830 1.00 0.00 N ATOM 914 CA PRO A 207 -6.156 -3.622 17.764 1.00 0.00 C ATOM 915 C PRO A 207 -5.281 -3.111 16.600 1.00 0.00 C ATOM 916 O PRO A 207 -5.370 -1.936 16.234 1.00 0.00 O ATOM 917 CB PRO A 207 -5.641 -3.048 19.085 1.00 0.00 C ATOM 918 CG PRO A 207 -4.750 -4.190 19.587 1.00 0.00 C ATOM 919 CD PRO A 207 -5.399 -5.472 19.046 1.00 0.00 C ATOM 0 HA PRO A 207 -7.185 -3.303 17.595 1.00 0.00 H new ATOM 0 HB2 PRO A 207 -5.081 -2.124 18.940 1.00 0.00 H new ATOM 0 HB3 PRO A 207 -6.451 -2.824 19.779 1.00 0.00 H new ATOM 0 HG2 PRO A 207 -3.728 -4.082 19.223 1.00 0.00 H new ATOM 0 HG3 PRO A 207 -4.701 -4.202 20.676 1.00 0.00 H new ATOM 0 HD2 PRO A 207 -4.646 -6.232 18.837 1.00 0.00 H new ATOM 0 HD3 PRO A 207 -6.089 -5.898 19.775 1.00 0.00 H new ATOM 927 N TYR A 208 -4.453 -3.955 15.963 1.00 0.00 N ATOM 928 CA TYR A 208 -3.647 -3.533 14.804 1.00 0.00 C ATOM 929 C TYR A 208 -4.478 -3.685 13.511 1.00 0.00 C ATOM 930 O TYR A 208 -4.169 -3.047 12.500 1.00 0.00 O ATOM 931 CB TYR A 208 -2.383 -4.402 14.716 1.00 0.00 C ATOM 932 CG TYR A 208 -1.416 -4.165 15.868 1.00 0.00 C ATOM 933 CD1 TYR A 208 -1.654 -4.738 17.135 1.00 0.00 C ATOM 934 CD2 TYR A 208 -0.301 -3.325 15.691 1.00 0.00 C ATOM 935 CE1 TYR A 208 -0.813 -4.440 18.223 1.00 0.00 C ATOM 936 CE2 TYR A 208 0.541 -3.020 16.778 1.00 0.00 C ATOM 937 CZ TYR A 208 0.287 -3.574 18.050 1.00 0.00 C ATOM 938 OH TYR A 208 1.094 -3.282 19.108 1.00 0.00 O ATOM 0 H TYR A 208 -4.324 -4.931 16.230 1.00 0.00 H new ATOM 0 HA TYR A 208 -3.359 -2.489 14.923 1.00 0.00 H new ATOM 0 HB2 TYR A 208 -2.672 -5.453 14.702 1.00 0.00 H new ATOM 0 HB3 TYR A 208 -1.874 -4.199 13.774 1.00 0.00 H new ATOM 0 HD1 TYR A 208 -2.488 -5.411 17.271 1.00 0.00 H new ATOM 0 HD2 TYR A 208 -0.090 -2.912 14.716 1.00 0.00 H new ATOM 0 HE1 TYR A 208 -1.010 -4.875 19.192 1.00 0.00 H new ATOM 0 HE2 TYR A 208 1.384 -2.360 16.637 1.00 0.00 H new ATOM 0 HH TYR A 208 1.805 -2.673 18.819 1.00 0.00 H new ATOM 948 N GLY A 209 -5.581 -4.450 13.515 1.00 0.00 N ATOM 949 CA GLY A 209 -6.496 -4.517 12.359 1.00 0.00 C ATOM 950 C GLY A 209 -5.736 -5.011 11.110 1.00 0.00 C ATOM 951 O GLY A 209 -4.889 -5.904 11.214 1.00 0.00 O ATOM 0 H GLY A 209 -5.863 -5.031 14.304 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -7.325 -5.190 12.580 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -6.926 -3.534 12.168 1.00 0.00 H new ATOM 955 N PRO A 210 -6.017 -4.480 9.900 1.00 0.00 N ATOM 956 CA PRO A 210 -5.391 -4.963 8.668 1.00 0.00 C ATOM 957 C PRO A 210 -3.909 -4.511 8.611 1.00 0.00 C ATOM 958 O PRO A 210 -3.201 -4.846 7.657 1.00 0.00 O ATOM 959 CB PRO A 210 -6.150 -4.385 7.472 1.00 0.00 C ATOM 960 CG PRO A 210 -6.719 -3.098 8.081 1.00 0.00 C ATOM 961 CD PRO A 210 -6.978 -3.441 9.557 1.00 0.00 C ATOM 0 HA PRO A 210 -5.426 -6.052 8.643 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -5.494 -4.185 6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -6.933 -5.055 7.118 1.00 0.00 H new ATOM 0 HG2 PRO A 210 -6.016 -2.271 7.985 1.00 0.00 H new ATOM 0 HG3 PRO A 210 -7.638 -2.795 7.578 1.00 0.00 H new ATOM 0 HD2 PRO A 210 -6.847 -2.564 10.191 1.00 0.00 H new ATOM 0 HD3 PRO A 210 -8.000 -3.791 9.703 1.00 0.00 H new ATOM 969 N ARG A 211 -3.396 -3.749 9.598 1.00 0.00 N ATOM 970 CA ARG A 211 -1.976 -3.325 9.610 1.00 0.00 C ATOM 971 C ARG A 211 -1.157 -4.275 10.505 1.00 0.00 C ATOM 972 O ARG A 211 0.044 -4.062 10.692 1.00 0.00 O ATOM 973 CB ARG A 211 -1.873 -1.885 10.155 1.00 0.00 C ATOM 974 CG ARG A 211 -2.785 -0.826 9.499 1.00 0.00 C ATOM 975 CD ARG A 211 -2.486 -0.528 8.020 1.00 0.00 C ATOM 976 NE ARG A 211 -2.836 -1.659 7.144 1.00 0.00 N ATOM 977 CZ ARG A 211 -2.948 -1.669 5.830 1.00 0.00 C ATOM 978 NH1 ARG A 211 -2.812 -0.594 5.098 1.00 0.00 N ATOM 979 NH2 ARG A 211 -3.200 -2.794 5.220 1.00 0.00 N ATOM 0 H ARG A 211 -3.938 -3.415 10.395 1.00 0.00 H new ATOM 0 HA ARG A 211 -1.581 -3.358 8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -2.093 -1.909 11.222 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -0.839 -1.555 10.050 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -3.820 -1.158 9.584 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -2.701 0.102 10.064 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -3.043 0.356 7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -1.427 -0.295 7.905 1.00 0.00 H new ATOM 0 HE ARG A 211 -3.014 -2.547 7.613 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -2.610 0.302 5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -2.908 -0.652 4.084 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -3.308 -3.653 5.759 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -3.289 -2.815 4.204 1.00 0.00 H new ATOM 993 N CYS A 212 -1.750 -5.340 11.070 1.00 0.00 N ATOM 994 CA CYS A 212 -1.013 -6.287 11.911 1.00 0.00 C ATOM 995 C CYS A 212 0.034 -7.032 11.060 1.00 0.00 C ATOM 996 O CYS A 212 -0.235 -7.368 9.899 1.00 0.00 O ATOM 997 CB CYS A 212 -1.992 -7.295 12.518 1.00 0.00 C ATOM 998 SG CYS A 212 -1.169 -8.206 13.857 1.00 0.00 S ATOM 0 H CYS A 212 -2.739 -5.563 10.957 1.00 0.00 H new ATOM 0 HA CYS A 212 -0.506 -5.745 12.709 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.871 -6.778 12.902 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -2.339 -7.988 11.752 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.847 -8.066 14.957 1.00 0.00 H new ATOM 1003 N HIS A 213 1.226 -7.324 11.586 1.00 0.00 N ATOM 1004 CA HIS A 213 2.267 -8.025 10.824 1.00 0.00 C ATOM 1005 C HIS A 213 2.131 -9.545 11.029 1.00 0.00 C ATOM 1006 O HIS A 213 3.049 -10.292 10.696 1.00 0.00 O ATOM 1007 CB HIS A 213 3.654 -7.562 11.309 1.00 0.00 C ATOM 1008 CG HIS A 213 3.989 -6.126 10.989 1.00 0.00 C ATOM 1009 ND1 HIS A 213 4.951 -5.711 10.064 1.00 0.00 N ATOM 1010 CD2 HIS A 213 3.454 -5.026 11.591 1.00 0.00 C ATOM 1011 CE1 HIS A 213 4.977 -4.370 10.137 1.00 0.00 C ATOM 1012 NE2 HIS A 213 4.086 -3.933 11.045 1.00 0.00 N ATOM 0 H HIS A 213 1.497 -7.086 12.540 1.00 0.00 H new ATOM 0 HA HIS A 213 2.154 -7.796 9.764 1.00 0.00 H new ATOM 0 HB2 HIS A 213 3.711 -7.702 12.388 1.00 0.00 H new ATOM 0 HB3 HIS A 213 4.413 -8.205 10.863 1.00 0.00 H new ATOM 0 HD2 HIS A 213 2.684 -5.015 12.349 1.00 0.00 H new ATOM 0 HE1 HIS A 213 5.622 -3.733 9.550 1.00 0.00 H new ATOM 0 HE2 HIS A 213 3.909 -2.958 11.287 1.00 0.00 H new ATOM 1020 N PHE A 214 1.007 -10.053 11.566 1.00 0.00 N ATOM 1021 CA PHE A 214 0.824 -11.503 11.775 1.00 0.00 C ATOM 1022 C PHE A 214 -0.472 -11.974 11.068 1.00 0.00 C ATOM 1023 O PHE A 214 -1.336 -11.153 10.743 1.00 0.00 O ATOM 1024 CB PHE A 214 0.728 -11.793 13.276 1.00 0.00 C ATOM 1025 CG PHE A 214 2.037 -11.592 14.017 1.00 0.00 C ATOM 1026 CD1 PHE A 214 2.428 -10.308 14.448 1.00 0.00 C ATOM 1027 CD2 PHE A 214 2.875 -12.696 14.270 1.00 0.00 C ATOM 1028 CE1 PHE A 214 3.651 -10.128 15.118 1.00 0.00 C ATOM 1029 CE2 PHE A 214 4.093 -12.518 14.951 1.00 0.00 C ATOM 1030 CZ PHE A 214 4.481 -11.234 15.372 1.00 0.00 C ATOM 0 H PHE A 214 0.214 -9.484 11.863 1.00 0.00 H new ATOM 0 HA PHE A 214 1.675 -12.040 11.355 1.00 0.00 H new ATOM 0 HB2 PHE A 214 -0.032 -11.146 13.715 1.00 0.00 H new ATOM 0 HB3 PHE A 214 0.393 -12.820 13.419 1.00 0.00 H new ATOM 0 HD1 PHE A 214 1.786 -9.460 14.263 1.00 0.00 H new ATOM 0 HD2 PHE A 214 2.581 -13.682 13.940 1.00 0.00 H new ATOM 0 HE1 PHE A 214 3.952 -9.141 15.437 1.00 0.00 H new ATOM 0 HE2 PHE A 214 4.730 -13.367 15.150 1.00 0.00 H new ATOM 0 HZ PHE A 214 5.418 -11.097 15.891 1.00 0.00 H new ATOM 1040 N ILE A 215 -0.624 -13.271 10.754 1.00 0.00 N ATOM 1041 CA ILE A 215 -1.768 -13.761 9.950 1.00 0.00 C ATOM 1042 C ILE A 215 -3.060 -13.685 10.779 1.00 0.00 C ATOM 1043 O ILE A 215 -3.172 -14.351 11.813 1.00 0.00 O ATOM 1044 CB ILE A 215 -1.514 -15.235 9.528 1.00 0.00 C ATOM 1045 CG1 ILE A 215 -0.207 -15.427 8.730 1.00 0.00 C ATOM 1046 CG2 ILE A 215 -2.705 -15.768 8.703 1.00 0.00 C ATOM 1047 CD1 ILE A 215 0.244 -16.891 8.620 1.00 0.00 C ATOM 0 H ILE A 215 0.027 -14.002 11.042 1.00 0.00 H new ATOM 0 HA ILE A 215 -1.872 -13.138 9.062 1.00 0.00 H new ATOM 0 HB ILE A 215 -1.410 -15.803 10.453 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.342 -15.022 7.727 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.585 -14.847 9.204 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -2.514 -16.801 8.414 1.00 0.00 H new ATOM 0 HG22 ILE A 215 -3.613 -15.721 9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 215 -2.830 -15.158 7.808 1.00 0.00 H new ATOM 0 HD11 ILE A 215 1.169 -16.945 8.046 1.00 0.00 H new ATOM 0 HD12 ILE A 215 0.413 -17.296 9.618 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -0.529 -17.473 8.118 1.00 0.00 H new ATOM 1059 N HIS A 216 -4.090 -12.962 10.331 1.00 0.00 N ATOM 1060 CA HIS A 216 -5.415 -13.024 10.961 1.00 0.00 C ATOM 1061 C HIS A 216 -6.258 -14.104 10.252 1.00 0.00 C ATOM 1062 O HIS A 216 -6.196 -15.278 10.627 1.00 0.00 O ATOM 1063 CB HIS A 216 -6.114 -11.649 10.838 1.00 0.00 C ATOM 1064 CG HIS A 216 -5.546 -10.551 11.700 1.00 0.00 C ATOM 1065 ND1 HIS A 216 -5.993 -9.249 11.746 1.00 0.00 N ATOM 1066 CD2 HIS A 216 -4.540 -10.673 12.618 1.00 0.00 C ATOM 1067 CE1 HIS A 216 -5.277 -8.607 12.685 1.00 0.00 C ATOM 1068 NE2 HIS A 216 -4.397 -9.442 13.254 1.00 0.00 N ATOM 0 H HIS A 216 -4.034 -12.327 9.535 1.00 0.00 H new ATOM 0 HA HIS A 216 -5.310 -13.276 12.016 1.00 0.00 H new ATOM 0 HB2 HIS A 216 -6.068 -11.330 9.797 1.00 0.00 H new ATOM 0 HB3 HIS A 216 -7.168 -11.774 11.087 1.00 0.00 H new ATOM 0 HD2 HIS A 216 -3.961 -11.563 12.815 1.00 0.00 H new ATOM 0 HE1 HIS A 216 -5.394 -7.565 12.944 1.00 0.00 H new ATOM 0 HE2 HIS A 216 -3.747 -9.219 14.008 1.00 0.00 H new