USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 471 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 Single : A 186 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.63) USER MOD Single : A 192 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 LYS NZ :NH3+ 155:sc= -0.304 (180deg=-1.13) USER MOD Single : A 202 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 CYS SG : rot 69:sc= 0.0803 USER MOD Single : A 204 TYR OH : rot -158:sc= -0.167 USER MOD Single : A 214 HIS : no HD1:sc= -2.72 K(o=-2.7,f=-1.9) USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 220 SER OG : rot 180:sc= 0 USER MOD Single : A 223 THR OG1 : rot 180:sc= 0 USER MOD Single : A 229 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 230 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 235 MET CE :methyl 148:sc= -0.305 (180deg=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 181 11.298 2.782 -0.722 1.00 0.00 N ATOM 136 CA ASP A 181 11.359 3.252 -2.145 1.00 0.00 C ATOM 137 C ASP A 181 10.027 3.929 -2.449 1.00 0.00 C ATOM 138 O ASP A 181 8.977 3.332 -2.339 1.00 0.00 O ATOM 139 CB ASP A 181 11.580 2.059 -3.093 1.00 0.00 C ATOM 140 CG ASP A 181 13.060 1.679 -3.101 1.00 0.00 C ATOM 141 OD1 ASP A 181 13.464 0.940 -2.220 1.00 0.00 O ATOM 142 OD2 ASP A 181 13.761 2.130 -3.988 1.00 0.00 O ATOM 0 HA ASP A 181 12.188 3.945 -2.289 1.00 0.00 H new ATOM 0 HB2 ASP A 181 10.978 1.209 -2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 181 11.255 2.317 -4.101 1.00 0.00 H new ATOM 147 N GLU A 182 10.049 5.177 -2.800 1.00 0.00 N ATOM 148 CA GLU A 182 8.769 5.884 -3.060 1.00 0.00 C ATOM 149 C GLU A 182 7.994 5.208 -4.191 1.00 0.00 C ATOM 150 O GLU A 182 6.783 5.089 -4.138 1.00 0.00 O ATOM 151 CB GLU A 182 9.058 7.340 -3.427 1.00 0.00 C ATOM 152 CG GLU A 182 9.544 8.100 -2.190 1.00 0.00 C ATOM 153 CD GLU A 182 8.379 8.288 -1.213 1.00 0.00 C ATOM 154 OE1 GLU A 182 7.245 8.297 -1.667 1.00 0.00 O ATOM 155 OE2 GLU A 182 8.638 8.419 -0.031 1.00 0.00 O ATOM 0 H GLU A 182 10.892 5.738 -2.918 1.00 0.00 H new ATOM 0 HA GLU A 182 8.159 5.846 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 182 9.813 7.384 -4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 182 8.158 7.810 -3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 182 10.352 7.550 -1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 182 9.948 9.070 -2.482 1.00 0.00 H new ATOM 162 N ASP A 183 8.676 4.775 -5.212 1.00 0.00 N ATOM 163 CA ASP A 183 7.987 4.116 -6.354 1.00 0.00 C ATOM 164 C ASP A 183 7.267 2.840 -5.893 1.00 0.00 C ATOM 165 O ASP A 183 6.165 2.550 -6.316 1.00 0.00 O ATOM 166 CB ASP A 183 9.023 3.764 -7.436 1.00 0.00 C ATOM 167 CG ASP A 183 9.412 5.022 -8.220 1.00 0.00 C ATOM 168 OD1 ASP A 183 8.706 5.344 -9.163 1.00 0.00 O ATOM 169 OD2 ASP A 183 10.413 5.631 -7.874 1.00 0.00 O ATOM 0 H ASP A 183 9.689 4.850 -5.305 1.00 0.00 H new ATOM 0 HA ASP A 183 7.244 4.802 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 183 9.908 3.325 -6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 183 8.613 3.016 -8.114 1.00 0.00 H new ATOM 174 N ALA A 184 7.885 2.072 -5.041 1.00 0.00 N ATOM 175 CA ALA A 184 7.245 0.807 -4.561 1.00 0.00 C ATOM 176 C ALA A 184 6.141 1.144 -3.560 1.00 0.00 C ATOM 177 O ALA A 184 5.063 0.578 -3.583 1.00 0.00 O ATOM 178 CB ALA A 184 8.313 -0.082 -3.879 1.00 0.00 C ATOM 0 H ALA A 184 8.809 2.263 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 184 6.814 0.271 -5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 184 7.849 -1.004 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 184 9.099 -0.321 -4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 184 8.744 0.452 -3.032 1.00 0.00 H new ATOM 184 N TRP A 185 6.404 2.057 -2.672 1.00 0.00 N ATOM 185 CA TRP A 185 5.372 2.409 -1.679 1.00 0.00 C ATOM 186 C TRP A 185 4.127 2.927 -2.413 1.00 0.00 C ATOM 187 O TRP A 185 3.014 2.534 -2.119 1.00 0.00 O ATOM 188 CB TRP A 185 5.908 3.472 -0.725 1.00 0.00 C ATOM 189 CG TRP A 185 4.896 3.691 0.342 1.00 0.00 C ATOM 190 CD1 TRP A 185 4.178 4.819 0.516 1.00 0.00 C ATOM 191 CD2 TRP A 185 4.470 2.760 1.374 1.00 0.00 C ATOM 192 NE1 TRP A 185 3.335 4.640 1.604 1.00 0.00 N ATOM 193 CE2 TRP A 185 3.481 3.382 2.163 1.00 0.00 C ATOM 194 CE3 TRP A 185 4.849 1.447 1.695 1.00 0.00 C ATOM 195 CZ2 TRP A 185 2.887 2.716 3.237 1.00 0.00 C ATOM 196 CZ3 TRP A 185 4.255 0.778 2.770 1.00 0.00 C ATOM 197 CH2 TRP A 185 3.277 1.410 3.538 1.00 0.00 C ATOM 0 H TRP A 185 7.283 2.568 -2.595 1.00 0.00 H new ATOM 0 HA TRP A 185 5.106 1.527 -1.096 1.00 0.00 H new ATOM 0 HB2 TRP A 185 6.855 3.151 -0.291 1.00 0.00 H new ATOM 0 HB3 TRP A 185 6.102 4.401 -1.261 1.00 0.00 H new ATOM 0 HD1 TRP A 185 4.247 5.711 -0.089 1.00 0.00 H new ATOM 0 HE1 TRP A 185 2.687 5.348 1.949 1.00 0.00 H new ATOM 0 HE3 TRP A 185 5.606 0.949 1.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 2.131 3.208 3.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 4.555 -0.232 3.007 1.00 0.00 H new ATOM 0 HH2 TRP A 185 2.821 0.888 4.366 1.00 0.00 H new ATOM 208 N GLN A 186 4.304 3.795 -3.383 1.00 0.00 N ATOM 209 CA GLN A 186 3.121 4.306 -4.139 1.00 0.00 C ATOM 210 C GLN A 186 2.423 3.114 -4.809 1.00 0.00 C ATOM 211 O GLN A 186 1.213 3.027 -4.835 1.00 0.00 O ATOM 212 CB GLN A 186 3.577 5.295 -5.222 1.00 0.00 C ATOM 213 CG GLN A 186 4.090 6.596 -4.586 1.00 0.00 C ATOM 214 CD GLN A 186 2.926 7.313 -3.902 1.00 0.00 C ATOM 215 OE1 GLN A 186 1.868 7.474 -4.482 1.00 0.00 O ATOM 216 NE2 GLN A 186 3.083 7.771 -2.690 1.00 0.00 N ATOM 0 H GLN A 186 5.207 4.166 -3.679 1.00 0.00 H new ATOM 0 HA GLN A 186 2.440 4.815 -3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 186 4.365 4.844 -5.825 1.00 0.00 H new ATOM 0 HB3 GLN A 186 2.747 5.515 -5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 186 4.874 6.376 -3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 186 4.531 7.238 -5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 186 3.970 7.636 -2.205 1.00 0.00 H new ATOM 0 HE22 GLN A 186 2.319 8.264 -2.228 1.00 0.00 H new ATOM 225 N PHE A 187 3.179 2.186 -5.345 1.00 0.00 N ATOM 226 CA PHE A 187 2.555 0.995 -5.994 1.00 0.00 C ATOM 227 C PHE A 187 1.717 0.247 -4.945 1.00 0.00 C ATOM 228 O PHE A 187 0.552 -0.040 -5.144 1.00 0.00 O ATOM 229 CB PHE A 187 3.680 0.090 -6.524 1.00 0.00 C ATOM 230 CG PHE A 187 3.116 -1.014 -7.397 1.00 0.00 C ATOM 231 CD1 PHE A 187 2.486 -2.124 -6.807 1.00 0.00 C ATOM 232 CD2 PHE A 187 3.222 -0.930 -8.793 1.00 0.00 C ATOM 233 CE1 PHE A 187 1.966 -3.142 -7.612 1.00 0.00 C ATOM 234 CE2 PHE A 187 2.698 -1.951 -9.597 1.00 0.00 C ATOM 235 CZ PHE A 187 2.069 -3.055 -9.007 1.00 0.00 C ATOM 0 H PHE A 187 4.199 2.204 -5.360 1.00 0.00 H new ATOM 0 HA PHE A 187 1.909 1.292 -6.820 1.00 0.00 H new ATOM 0 HB2 PHE A 187 4.392 0.685 -7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 187 4.227 -0.345 -5.688 1.00 0.00 H new ATOM 0 HD1 PHE A 187 2.404 -2.190 -5.732 1.00 0.00 H new ATOM 0 HD2 PHE A 187 3.707 -0.079 -9.248 1.00 0.00 H new ATOM 0 HE1 PHE A 187 1.485 -3.996 -7.159 1.00 0.00 H new ATOM 0 HE2 PHE A 187 2.779 -1.887 -10.672 1.00 0.00 H new ATOM 0 HZ PHE A 187 1.663 -3.840 -9.628 1.00 0.00 H new ATOM 245 N LEU A 188 2.298 -0.043 -3.814 1.00 0.00 N ATOM 246 CA LEU A 188 1.531 -0.752 -2.748 1.00 0.00 C ATOM 247 C LEU A 188 0.326 0.097 -2.349 1.00 0.00 C ATOM 248 O LEU A 188 -0.777 -0.393 -2.257 1.00 0.00 O ATOM 249 CB LEU A 188 2.436 -0.949 -1.528 1.00 0.00 C ATOM 250 CG LEU A 188 1.671 -1.648 -0.390 1.00 0.00 C ATOM 251 CD1 LEU A 188 1.154 -3.016 -0.848 1.00 0.00 C ATOM 252 CD2 LEU A 188 2.609 -1.839 0.808 1.00 0.00 C ATOM 0 H LEU A 188 3.266 0.178 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 188 1.192 -1.720 -3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 188 3.306 -1.543 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 188 2.807 0.017 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 188 0.821 -1.027 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 188 0.616 -3.494 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.482 -2.886 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 188 1.995 -3.642 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 188 2.071 -2.334 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 188 3.460 -2.452 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 188 2.964 -0.867 1.150 1.00 0.00 H new ATOM 264 N ILE A 189 0.518 1.367 -2.114 1.00 0.00 N ATOM 265 CA ILE A 189 -0.635 2.230 -1.724 1.00 0.00 C ATOM 266 C ILE A 189 -1.673 2.276 -2.859 1.00 0.00 C ATOM 267 O ILE A 189 -2.866 2.277 -2.621 1.00 0.00 O ATOM 268 CB ILE A 189 -0.136 3.641 -1.410 1.00 0.00 C ATOM 269 CG1 ILE A 189 0.800 3.606 -0.178 1.00 0.00 C ATOM 270 CG2 ILE A 189 -1.334 4.562 -1.147 1.00 0.00 C ATOM 271 CD1 ILE A 189 -0.005 3.614 1.135 1.00 0.00 C ATOM 0 H ILE A 189 1.418 1.843 -2.175 1.00 0.00 H new ATOM 0 HA ILE A 189 -1.110 1.812 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 189 0.425 4.026 -2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 189 1.425 2.714 -0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 189 1.469 4.466 -0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 189 -0.978 5.568 -0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 189 -1.971 4.591 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 189 -1.905 4.183 -0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 189 0.680 3.589 1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 189 -0.611 4.519 1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 189 -0.655 2.740 1.168 1.00 0.00 H new ATOM 283 N ALA A 190 -1.236 2.347 -4.086 1.00 0.00 N ATOM 284 CA ALA A 190 -2.210 2.422 -5.213 1.00 0.00 C ATOM 285 C ALA A 190 -3.104 1.181 -5.218 1.00 0.00 C ATOM 286 O ALA A 190 -4.289 1.273 -5.441 1.00 0.00 O ATOM 287 CB ALA A 190 -1.461 2.523 -6.544 1.00 0.00 C ATOM 0 H ALA A 190 -0.253 2.356 -4.357 1.00 0.00 H new ATOM 0 HA ALA A 190 -2.831 3.308 -5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -2.179 2.577 -7.362 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -0.841 3.419 -6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -0.829 1.644 -6.674 1.00 0.00 H new ATOM 293 N ASP A 191 -2.562 0.026 -4.967 1.00 0.00 N ATOM 294 CA ASP A 191 -3.404 -1.209 -4.953 1.00 0.00 C ATOM 295 C ASP A 191 -4.318 -1.208 -3.732 1.00 0.00 C ATOM 296 O ASP A 191 -5.458 -1.609 -3.797 1.00 0.00 O ATOM 297 CB ASP A 191 -2.500 -2.438 -4.905 1.00 0.00 C ATOM 298 CG ASP A 191 -3.311 -3.691 -5.237 1.00 0.00 C ATOM 299 OD1 ASP A 191 -4.521 -3.578 -5.352 1.00 0.00 O ATOM 300 OD2 ASP A 191 -2.706 -4.741 -5.377 1.00 0.00 O ATOM 0 H ASP A 191 -1.572 -0.122 -4.770 1.00 0.00 H new ATOM 0 HA ASP A 191 -4.014 -1.233 -5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 191 -1.680 -2.326 -5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 191 -2.054 -2.534 -3.915 1.00 0.00 H new ATOM 305 N TYR A 192 -3.820 -0.773 -2.617 1.00 0.00 N ATOM 306 CA TYR A 192 -4.652 -0.755 -1.392 1.00 0.00 C ATOM 307 C TYR A 192 -5.867 0.130 -1.638 1.00 0.00 C ATOM 308 O TYR A 192 -6.957 -0.157 -1.191 1.00 0.00 O ATOM 309 CB TYR A 192 -3.832 -0.192 -0.232 1.00 0.00 C ATOM 310 CG TYR A 192 -4.535 -0.489 1.065 1.00 0.00 C ATOM 311 CD1 TYR A 192 -5.662 0.253 1.435 1.00 0.00 C ATOM 312 CD2 TYR A 192 -4.053 -1.503 1.899 1.00 0.00 C ATOM 313 CE1 TYR A 192 -6.309 -0.021 2.639 1.00 0.00 C ATOM 314 CE2 TYR A 192 -4.697 -1.774 3.103 1.00 0.00 C ATOM 315 CZ TYR A 192 -5.826 -1.035 3.477 1.00 0.00 C ATOM 316 OH TYR A 192 -6.459 -1.303 4.670 1.00 0.00 O ATOM 0 H TYR A 192 -2.868 -0.427 -2.500 1.00 0.00 H new ATOM 0 HA TYR A 192 -4.976 -1.766 -1.144 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -2.835 -0.634 -0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -3.703 0.884 -0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -6.030 1.036 0.789 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -3.183 -2.074 1.610 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -7.181 0.547 2.926 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -4.325 -2.555 3.749 1.00 0.00 H new ATOM 0 HH TYR A 192 -5.997 -2.036 5.128 1.00 0.00 H new ATOM 326 N LEU A 193 -5.674 1.223 -2.325 1.00 0.00 N ATOM 327 CA LEU A 193 -6.799 2.164 -2.575 1.00 0.00 C ATOM 328 C LEU A 193 -7.702 1.666 -3.712 1.00 0.00 C ATOM 329 O LEU A 193 -8.716 2.271 -4.009 1.00 0.00 O ATOM 330 CB LEU A 193 -6.234 3.538 -2.931 1.00 0.00 C ATOM 331 CG LEU A 193 -5.403 4.087 -1.748 1.00 0.00 C ATOM 332 CD1 LEU A 193 -4.694 5.380 -2.174 1.00 0.00 C ATOM 333 CD2 LEU A 193 -6.316 4.381 -0.538 1.00 0.00 C ATOM 0 H LEU A 193 -4.779 1.505 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.403 2.229 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -5.610 3.465 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -7.047 4.225 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 193 -4.665 3.337 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -4.109 5.766 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -4.033 5.172 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.436 6.121 -2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -5.715 4.767 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -7.065 5.122 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -6.813 3.463 -0.226 1.00 0.00 H new ATOM 345 N ARG A 194 -7.379 0.563 -4.340 1.00 0.00 N ATOM 346 CA ARG A 194 -8.272 0.059 -5.427 1.00 0.00 C ATOM 347 C ARG A 194 -9.547 -0.500 -4.784 1.00 0.00 C ATOM 348 O ARG A 194 -9.526 -0.945 -3.655 1.00 0.00 O ATOM 349 CB ARG A 194 -7.567 -1.059 -6.215 1.00 0.00 C ATOM 350 CG ARG A 194 -6.601 -0.457 -7.239 1.00 0.00 C ATOM 351 CD ARG A 194 -5.942 -1.585 -8.035 1.00 0.00 C ATOM 352 NE ARG A 194 -4.904 -1.019 -8.943 1.00 0.00 N ATOM 353 CZ ARG A 194 -4.036 -1.810 -9.504 1.00 0.00 C ATOM 354 NH1 ARG A 194 -4.068 -3.091 -9.253 1.00 0.00 N ATOM 355 NH2 ARG A 194 -3.127 -1.322 -10.302 1.00 0.00 N ATOM 0 H ARG A 194 -6.551 -0.002 -4.152 1.00 0.00 H new ATOM 0 HA ARG A 194 -8.514 0.872 -6.112 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -7.023 -1.709 -5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -8.307 -1.678 -6.722 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -7.137 0.213 -7.911 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -5.841 0.139 -6.733 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -5.490 -2.307 -7.355 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -6.693 -2.121 -8.615 1.00 0.00 H new ATOM 0 HE ARG A 194 -4.874 -0.016 -9.124 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -4.772 -3.469 -8.619 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -3.389 -3.714 -9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -3.096 -0.319 -10.487 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -2.447 -1.943 -10.741 1.00 0.00 H new ATOM 369 N PRO A 195 -10.650 -0.483 -5.488 1.00 0.00 N ATOM 370 CA PRO A 195 -11.935 -1.012 -4.950 1.00 0.00 C ATOM 371 C PRO A 195 -11.851 -2.526 -4.710 1.00 0.00 C ATOM 372 O PRO A 195 -12.677 -3.112 -4.035 1.00 0.00 O ATOM 373 CB PRO A 195 -12.969 -0.665 -6.036 1.00 0.00 C ATOM 374 CG PRO A 195 -12.175 -0.474 -7.294 1.00 0.00 C ATOM 375 CD PRO A 195 -10.799 0.037 -6.855 1.00 0.00 C ATOM 0 HA PRO A 195 -12.195 -0.581 -3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -13.701 -1.464 -6.151 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -13.521 0.239 -5.779 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -12.085 -1.411 -7.844 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -12.662 0.240 -7.958 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -10.009 -0.329 -7.510 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -10.751 1.126 -6.876 1.00 0.00 H new ATOM 383 N GLU A 196 -10.845 -3.163 -5.249 1.00 0.00 N ATOM 384 CA GLU A 196 -10.703 -4.626 -5.031 1.00 0.00 C ATOM 385 C GLU A 196 -10.456 -4.868 -3.543 1.00 0.00 C ATOM 386 O GLU A 196 -10.989 -5.786 -2.961 1.00 0.00 O ATOM 387 CB GLU A 196 -9.514 -5.165 -5.844 1.00 0.00 C ATOM 388 CG GLU A 196 -9.447 -6.694 -5.706 1.00 0.00 C ATOM 389 CD GLU A 196 -10.667 -7.307 -6.390 1.00 0.00 C ATOM 390 OE1 GLU A 196 -11.270 -6.619 -7.195 1.00 0.00 O ATOM 391 OE2 GLU A 196 -10.977 -8.451 -6.101 1.00 0.00 O ATOM 0 H GLU A 196 -10.122 -2.734 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 196 -11.609 -5.139 -5.353 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -9.622 -4.889 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -8.585 -4.717 -5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -8.531 -7.073 -6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -9.423 -6.977 -4.654 1.00 0.00 H new ATOM 398 N LYS A 197 -9.661 -4.042 -2.918 1.00 0.00 N ATOM 399 CA LYS A 197 -9.387 -4.222 -1.463 1.00 0.00 C ATOM 400 C LYS A 197 -9.069 -5.697 -1.166 1.00 0.00 C ATOM 401 O LYS A 197 -9.815 -6.368 -0.479 1.00 0.00 O ATOM 402 CB LYS A 197 -10.610 -3.788 -0.647 1.00 0.00 C ATOM 403 CG LYS A 197 -10.211 -3.679 0.822 1.00 0.00 C ATOM 404 CD LYS A 197 -11.433 -3.269 1.646 1.00 0.00 C ATOM 405 CE LYS A 197 -11.038 -3.046 3.107 1.00 0.00 C ATOM 406 NZ LYS A 197 -9.796 -2.233 3.178 1.00 0.00 N ATOM 0 H LYS A 197 -9.189 -3.249 -3.353 1.00 0.00 H new ATOM 0 HA LYS A 197 -8.530 -3.608 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -10.983 -2.830 -1.008 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -11.418 -4.510 -0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -9.821 -4.633 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -9.414 -2.945 0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -11.867 -2.357 1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -12.199 -4.042 1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -11.845 -2.540 3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -10.884 -4.005 3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -9.759 -1.735 4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -8.968 -2.856 3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -9.791 -1.538 2.404 1.00 0.00 H new ATOM 420 N PRO A 198 -7.973 -6.201 -1.682 1.00 0.00 N ATOM 421 CA PRO A 198 -7.549 -7.619 -1.464 1.00 0.00 C ATOM 422 C PRO A 198 -6.951 -7.845 -0.068 1.00 0.00 C ATOM 423 O PRO A 198 -6.807 -6.928 0.716 1.00 0.00 O ATOM 424 CB PRO A 198 -6.501 -7.848 -2.555 1.00 0.00 C ATOM 425 CG PRO A 198 -5.891 -6.500 -2.776 1.00 0.00 C ATOM 426 CD PRO A 198 -7.014 -5.477 -2.534 1.00 0.00 C ATOM 0 HA PRO A 198 -8.390 -8.311 -1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 198 -5.753 -8.576 -2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 198 -6.956 -8.233 -3.468 1.00 0.00 H new ATOM 0 HG2 PRO A 198 -5.058 -6.333 -2.093 1.00 0.00 H new ATOM 0 HG3 PRO A 198 -5.496 -6.412 -3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 198 -6.639 -4.580 -2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 198 -7.472 -5.158 -3.470 1.00 0.00 H new ATOM 434 N ALA A 199 -6.612 -9.063 0.253 1.00 0.00 N ATOM 435 CA ALA A 199 -6.042 -9.338 1.599 1.00 0.00 C ATOM 436 C ALA A 199 -4.665 -8.687 1.721 1.00 0.00 C ATOM 437 O ALA A 199 -3.895 -8.646 0.781 1.00 0.00 O ATOM 438 CB ALA A 199 -5.925 -10.842 1.815 1.00 0.00 C ATOM 0 H ALA A 199 -6.705 -9.876 -0.356 1.00 0.00 H new ATOM 0 HA ALA A 199 -6.703 -8.920 2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 199 -5.507 -11.036 2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 199 -6.912 -11.298 1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 199 -5.272 -11.269 1.054 1.00 0.00 H new ATOM 444 N PHE A 200 -4.362 -8.163 2.873 1.00 0.00 N ATOM 445 CA PHE A 200 -3.042 -7.494 3.069 1.00 0.00 C ATOM 446 C PHE A 200 -1.906 -8.489 2.821 1.00 0.00 C ATOM 447 O PHE A 200 -0.953 -8.199 2.122 1.00 0.00 O ATOM 448 CB PHE A 200 -2.958 -6.953 4.504 1.00 0.00 C ATOM 449 CG PHE A 200 -1.580 -6.366 4.763 1.00 0.00 C ATOM 450 CD1 PHE A 200 -1.138 -5.249 4.043 1.00 0.00 C ATOM 451 CD2 PHE A 200 -0.747 -6.940 5.738 1.00 0.00 C ATOM 452 CE1 PHE A 200 0.123 -4.708 4.296 1.00 0.00 C ATOM 453 CE2 PHE A 200 0.519 -6.399 5.989 1.00 0.00 C ATOM 454 CZ PHE A 200 0.952 -5.284 5.270 1.00 0.00 C ATOM 0 H PHE A 200 -4.971 -8.167 3.691 1.00 0.00 H new ATOM 0 HA PHE A 200 -2.946 -6.670 2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -3.721 -6.190 4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -3.160 -7.754 5.215 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -1.774 -4.806 3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -1.085 -7.801 6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 200 0.461 -3.845 3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 200 1.159 -6.843 6.737 1.00 0.00 H new ATOM 0 HZ PHE A 200 1.928 -4.864 5.464 1.00 0.00 H new ATOM 464 N ARG A 201 -1.985 -9.652 3.399 1.00 0.00 N ATOM 465 CA ARG A 201 -0.893 -10.644 3.213 1.00 0.00 C ATOM 466 C ARG A 201 -0.750 -11.001 1.723 1.00 0.00 C ATOM 467 O ARG A 201 0.344 -11.159 1.212 1.00 0.00 O ATOM 468 CB ARG A 201 -1.194 -11.912 4.029 1.00 0.00 C ATOM 469 CG ARG A 201 -2.353 -12.675 3.403 1.00 0.00 C ATOM 470 CD ARG A 201 -2.814 -13.764 4.376 1.00 0.00 C ATOM 471 NE ARG A 201 -3.904 -14.563 3.752 1.00 0.00 N ATOM 472 CZ ARG A 201 -4.226 -15.740 4.228 1.00 0.00 C ATOM 473 NH1 ARG A 201 -3.598 -16.230 5.253 1.00 0.00 N ATOM 474 NH2 ARG A 201 -5.188 -16.427 3.679 1.00 0.00 N ATOM 0 H ARG A 201 -2.757 -9.959 3.991 1.00 0.00 H new ATOM 0 HA ARG A 201 0.043 -10.208 3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 201 -0.309 -12.547 4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 201 -1.439 -11.643 5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 201 -3.176 -11.995 3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 201 -2.044 -13.121 2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 201 -1.977 -14.412 4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 201 -3.166 -13.312 5.303 1.00 0.00 H new ATOM 0 HE ARG A 201 -4.405 -14.190 2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 201 -2.848 -15.698 5.694 1.00 0.00 H new ATOM 0 HH12 ARG A 201 -3.855 -17.147 5.618 1.00 0.00 H new ATOM 0 HH21 ARG A 201 -5.692 -16.048 2.877 1.00 0.00 H new ATOM 0 HH22 ARG A 201 -5.437 -17.343 4.051 1.00 0.00 H new ATOM 488 N LYS A 202 -1.847 -11.138 1.023 1.00 0.00 N ATOM 489 CA LYS A 202 -1.760 -11.489 -0.418 1.00 0.00 C ATOM 490 C LYS A 202 -1.231 -10.289 -1.188 1.00 0.00 C ATOM 491 O LYS A 202 -0.421 -10.423 -2.078 1.00 0.00 O ATOM 492 CB LYS A 202 -3.154 -11.835 -0.950 1.00 0.00 C ATOM 493 CG LYS A 202 -3.741 -13.046 -0.205 1.00 0.00 C ATOM 494 CD LYS A 202 -2.989 -14.330 -0.579 1.00 0.00 C ATOM 495 CE LYS A 202 -3.838 -15.557 -0.201 1.00 0.00 C ATOM 496 NZ LYS A 202 -3.178 -16.804 -0.693 1.00 0.00 N ATOM 0 H LYS A 202 -2.792 -11.022 1.388 1.00 0.00 H new ATOM 0 HA LYS A 202 -1.096 -12.344 -0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -3.815 -10.976 -0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -3.097 -12.052 -2.017 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -3.679 -12.882 0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -4.798 -13.153 -0.450 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -2.775 -14.339 -1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -2.030 -14.365 -0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -3.963 -15.604 0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -4.834 -15.468 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -3.757 -17.628 -0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -3.081 -16.760 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -2.236 -16.892 -0.260 1.00 0.00 H new ATOM 510 N CYS A 203 -1.680 -9.112 -0.855 1.00 0.00 N ATOM 511 CA CYS A 203 -1.195 -7.908 -1.577 1.00 0.00 C ATOM 512 C CYS A 203 0.306 -7.731 -1.350 1.00 0.00 C ATOM 513 O CYS A 203 1.031 -7.373 -2.253 1.00 0.00 O ATOM 514 CB CYS A 203 -1.941 -6.678 -1.063 1.00 0.00 C ATOM 515 SG CYS A 203 -1.678 -5.294 -2.195 1.00 0.00 S ATOM 0 H CYS A 203 -2.360 -8.933 -0.116 1.00 0.00 H new ATOM 0 HA CYS A 203 -1.379 -8.029 -2.645 1.00 0.00 H new ATOM 0 HB2 CYS A 203 -3.006 -6.895 -0.979 1.00 0.00 H new ATOM 0 HB3 CYS A 203 -1.589 -6.417 -0.065 1.00 0.00 H new ATOM 0 HG CYS A 203 -2.291 -5.529 -3.317 1.00 0.00 H new ATOM 521 N TYR A 204 0.784 -7.959 -0.160 1.00 0.00 N ATOM 522 CA TYR A 204 2.241 -7.774 0.081 1.00 0.00 C ATOM 523 C TYR A 204 3.034 -8.711 -0.838 1.00 0.00 C ATOM 524 O TYR A 204 4.056 -8.345 -1.383 1.00 0.00 O ATOM 525 CB TYR A 204 2.565 -8.082 1.546 1.00 0.00 C ATOM 526 CG TYR A 204 4.004 -7.733 1.832 1.00 0.00 C ATOM 527 CD1 TYR A 204 5.017 -8.661 1.577 1.00 0.00 C ATOM 528 CD2 TYR A 204 4.320 -6.475 2.350 1.00 0.00 C ATOM 529 CE1 TYR A 204 6.355 -8.330 1.844 1.00 0.00 C ATOM 530 CE2 TYR A 204 5.651 -6.137 2.617 1.00 0.00 C ATOM 531 CZ TYR A 204 6.674 -7.063 2.367 1.00 0.00 C ATOM 532 OH TYR A 204 7.993 -6.726 2.630 1.00 0.00 O ATOM 0 H TYR A 204 0.238 -8.261 0.647 1.00 0.00 H new ATOM 0 HA TYR A 204 2.517 -6.742 -0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 204 1.906 -7.513 2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 204 2.388 -9.137 1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 204 4.771 -9.633 1.175 1.00 0.00 H new ATOM 0 HD2 TYR A 204 3.534 -5.761 2.545 1.00 0.00 H new ATOM 0 HE1 TYR A 204 7.139 -9.047 1.648 1.00 0.00 H new ATOM 0 HE2 TYR A 204 5.891 -5.162 3.016 1.00 0.00 H new ATOM 0 HH TYR A 204 8.020 -5.999 3.286 1.00 0.00 H new ATOM 542 N GLU A 205 2.576 -9.919 -1.015 1.00 0.00 N ATOM 543 CA GLU A 205 3.319 -10.875 -1.886 1.00 0.00 C ATOM 544 C GLU A 205 3.417 -10.329 -3.309 1.00 0.00 C ATOM 545 O GLU A 205 4.432 -10.455 -3.964 1.00 0.00 O ATOM 546 CB GLU A 205 2.563 -12.204 -1.910 1.00 0.00 C ATOM 547 CG GLU A 205 2.679 -12.876 -0.538 1.00 0.00 C ATOM 548 CD GLU A 205 1.880 -14.181 -0.541 1.00 0.00 C ATOM 549 OE1 GLU A 205 1.169 -14.414 -1.503 1.00 0.00 O ATOM 550 OE2 GLU A 205 1.982 -14.919 0.426 1.00 0.00 O ATOM 0 H GLU A 205 1.722 -10.286 -0.596 1.00 0.00 H new ATOM 0 HA GLU A 205 4.326 -11.015 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 205 1.515 -12.035 -2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 205 2.972 -12.855 -2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 205 3.725 -13.078 -0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 205 2.304 -12.209 0.238 1.00 0.00 H new ATOM 557 N ARG A 206 2.378 -9.733 -3.801 1.00 0.00 N ATOM 558 CA ARG A 206 2.433 -9.192 -5.180 1.00 0.00 C ATOM 559 C ARG A 206 3.534 -8.136 -5.249 1.00 0.00 C ATOM 560 O ARG A 206 4.277 -8.049 -6.209 1.00 0.00 O ATOM 561 CB ARG A 206 1.081 -8.554 -5.530 1.00 0.00 C ATOM 562 CG ARG A 206 1.029 -8.217 -7.031 1.00 0.00 C ATOM 563 CD ARG A 206 0.600 -9.451 -7.837 1.00 0.00 C ATOM 564 NE ARG A 206 1.176 -9.369 -9.220 1.00 0.00 N ATOM 565 CZ ARG A 206 1.009 -8.309 -9.960 1.00 0.00 C ATOM 566 NH1 ARG A 206 0.198 -7.357 -9.584 1.00 0.00 N ATOM 567 NH2 ARG A 206 1.611 -8.231 -11.113 1.00 0.00 N ATOM 0 H ARG A 206 1.494 -9.596 -3.311 1.00 0.00 H new ATOM 0 HA ARG A 206 2.645 -9.992 -5.889 1.00 0.00 H new ATOM 0 HB2 ARG A 206 0.271 -9.237 -5.274 1.00 0.00 H new ATOM 0 HB3 ARG A 206 0.933 -7.649 -4.941 1.00 0.00 H new ATOM 0 HG2 ARG A 206 0.329 -7.400 -7.204 1.00 0.00 H new ATOM 0 HG3 ARG A 206 2.007 -7.875 -7.369 1.00 0.00 H new ATOM 0 HD2 ARG A 206 0.943 -10.359 -7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 206 -0.487 -9.506 -7.887 1.00 0.00 H new ATOM 0 HE ARG A 206 1.708 -10.157 -9.588 1.00 0.00 H new ATOM 0 HH11 ARG A 206 -0.312 -7.439 -8.704 1.00 0.00 H new ATOM 0 HH12 ARG A 206 0.074 -6.531 -10.170 1.00 0.00 H new ATOM 0 HH21 ARG A 206 2.207 -8.996 -11.430 1.00 0.00 H new ATOM 0 HH22 ARG A 206 1.486 -7.405 -11.699 1.00 0.00 H new ATOM 581 N LEU A 207 3.634 -7.337 -4.223 1.00 0.00 N ATOM 582 CA LEU A 207 4.673 -6.277 -4.184 1.00 0.00 C ATOM 583 C LEU A 207 6.059 -6.920 -4.220 1.00 0.00 C ATOM 584 O LEU A 207 6.962 -6.402 -4.838 1.00 0.00 O ATOM 585 CB LEU A 207 4.515 -5.430 -2.914 1.00 0.00 C ATOM 586 CG LEU A 207 5.583 -4.324 -2.884 1.00 0.00 C ATOM 587 CD1 LEU A 207 5.328 -3.309 -4.012 1.00 0.00 C ATOM 588 CD2 LEU A 207 5.536 -3.618 -1.522 1.00 0.00 C ATOM 0 H LEU A 207 3.031 -7.376 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 207 4.557 -5.627 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 207 3.520 -4.987 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 207 4.609 -6.062 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 207 6.568 -4.767 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 207 6.091 -2.531 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 207 5.368 -3.818 -4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 207 4.344 -2.858 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 207 6.291 -2.832 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 207 4.549 -3.179 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 207 5.734 -4.341 -0.731 1.00 0.00 H new ATOM 600 N GLU A 208 6.251 -8.019 -3.534 1.00 0.00 N ATOM 601 CA GLU A 208 7.607 -8.640 -3.525 1.00 0.00 C ATOM 602 C GLU A 208 8.016 -8.985 -4.958 1.00 0.00 C ATOM 603 O GLU A 208 9.153 -8.793 -5.342 1.00 0.00 O ATOM 604 CB GLU A 208 7.598 -9.925 -2.686 1.00 0.00 C ATOM 605 CG GLU A 208 7.444 -9.589 -1.200 1.00 0.00 C ATOM 606 CD GLU A 208 7.415 -10.889 -0.387 1.00 0.00 C ATOM 607 OE1 GLU A 208 6.396 -11.556 -0.413 1.00 0.00 O ATOM 608 OE2 GLU A 208 8.418 -11.199 0.243 1.00 0.00 O ATOM 0 H GLU A 208 5.539 -8.505 -2.989 1.00 0.00 H new ATOM 0 HA GLU A 208 8.315 -7.933 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 208 6.780 -10.571 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 208 8.523 -10.479 -2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 208 8.270 -8.959 -0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.527 -9.024 -1.036 1.00 0.00 H new ATOM 615 N LEU A 209 7.110 -9.474 -5.763 1.00 0.00 N ATOM 616 CA LEU A 209 7.486 -9.791 -7.163 1.00 0.00 C ATOM 617 C LEU A 209 7.853 -8.479 -7.872 1.00 0.00 C ATOM 618 O LEU A 209 8.804 -8.409 -8.633 1.00 0.00 O ATOM 619 CB LEU A 209 6.300 -10.461 -7.867 1.00 0.00 C ATOM 620 CG LEU A 209 6.660 -10.806 -9.322 1.00 0.00 C ATOM 621 CD1 LEU A 209 7.785 -11.856 -9.351 1.00 0.00 C ATOM 622 CD2 LEU A 209 5.422 -11.372 -10.012 1.00 0.00 C ATOM 0 H LEU A 209 6.140 -9.664 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 209 8.337 -10.472 -7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 209 6.017 -11.367 -7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 209 5.436 -9.797 -7.848 1.00 0.00 H new ATOM 0 HG LEU A 209 7.001 -9.908 -9.837 1.00 0.00 H new ATOM 0 HD11 LEU A 209 8.034 -12.094 -10.385 1.00 0.00 H new ATOM 0 HD12 LEU A 209 8.667 -11.459 -8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 209 7.453 -12.760 -8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 209 5.663 -11.621 -11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 209 5.093 -12.270 -9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 209 4.624 -10.629 -9.995 1.00 0.00 H new ATOM 634 N ALA A 210 7.107 -7.427 -7.613 1.00 0.00 N ATOM 635 CA ALA A 210 7.414 -6.123 -8.253 1.00 0.00 C ATOM 636 C ALA A 210 8.766 -5.631 -7.751 1.00 0.00 C ATOM 637 O ALA A 210 9.569 -5.120 -8.502 1.00 0.00 O ATOM 638 CB ALA A 210 6.314 -5.115 -7.888 1.00 0.00 C ATOM 0 H ALA A 210 6.302 -7.424 -6.986 1.00 0.00 H new ATOM 0 HA ALA A 210 7.453 -6.232 -9.337 1.00 0.00 H new ATOM 0 HB1 ALA A 210 6.532 -4.154 -8.354 1.00 0.00 H new ATOM 0 HB2 ALA A 210 5.352 -5.482 -8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 210 6.277 -4.993 -6.805 1.00 0.00 H new ATOM 644 N ALA A 211 9.027 -5.788 -6.484 1.00 0.00 N ATOM 645 CA ALA A 211 10.332 -5.322 -5.932 1.00 0.00 C ATOM 646 C ALA A 211 11.483 -5.991 -6.667 1.00 0.00 C ATOM 647 O ALA A 211 12.491 -5.378 -6.922 1.00 0.00 O ATOM 648 CB ALA A 211 10.424 -5.659 -4.447 1.00 0.00 C ATOM 0 H ALA A 211 8.396 -6.217 -5.807 1.00 0.00 H new ATOM 0 HA ALA A 211 10.396 -4.242 -6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 211 11.381 -5.314 -4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 211 9.613 -5.166 -3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 211 10.344 -6.738 -4.313 1.00 0.00 H new ATOM 654 N ARG A 212 11.365 -7.241 -6.992 1.00 0.00 N ATOM 655 CA ARG A 212 12.486 -7.918 -7.691 1.00 0.00 C ATOM 656 C ARG A 212 12.689 -7.267 -9.066 1.00 0.00 C ATOM 657 O ARG A 212 13.802 -7.090 -9.524 1.00 0.00 O ATOM 658 CB ARG A 212 12.153 -9.406 -7.886 1.00 0.00 C ATOM 659 CG ARG A 212 11.924 -10.086 -6.531 1.00 0.00 C ATOM 660 CD ARG A 212 13.255 -10.372 -5.834 1.00 0.00 C ATOM 661 NE ARG A 212 13.001 -11.185 -4.609 1.00 0.00 N ATOM 662 CZ ARG A 212 13.990 -11.776 -4.008 1.00 0.00 C ATOM 663 NH1 ARG A 212 15.200 -11.664 -4.477 1.00 0.00 N ATOM 664 NH2 ARG A 212 13.776 -12.484 -2.933 1.00 0.00 N ATOM 0 H ARG A 212 10.547 -7.822 -6.806 1.00 0.00 H new ATOM 0 HA ARG A 212 13.393 -7.823 -7.095 1.00 0.00 H new ATOM 0 HB2 ARG A 212 11.262 -9.507 -8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 212 12.967 -9.901 -8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 212 11.307 -9.448 -5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 212 11.376 -11.017 -6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 212 13.925 -10.907 -6.508 1.00 0.00 H new ATOM 0 HD3 ARG A 212 13.749 -9.437 -5.569 1.00 0.00 H new ATOM 0 HE ARG A 212 12.053 -11.277 -4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 212 15.372 -11.112 -5.317 1.00 0.00 H new ATOM 0 HH12 ARG A 212 15.975 -12.128 -4.004 1.00 0.00 H new ATOM 0 HH21 ARG A 212 12.830 -12.575 -2.562 1.00 0.00 H new ATOM 0 HH22 ARG A 212 14.555 -12.947 -2.464 1.00 0.00 H new ATOM 678 N GLU A 213 11.615 -6.937 -9.737 1.00 0.00 N ATOM 679 CA GLU A 213 11.729 -6.322 -11.092 1.00 0.00 C ATOM 680 C GLU A 213 12.343 -4.924 -10.988 1.00 0.00 C ATOM 681 O GLU A 213 13.213 -4.566 -11.749 1.00 0.00 O ATOM 682 CB GLU A 213 10.326 -6.225 -11.707 1.00 0.00 C ATOM 683 CG GLU A 213 10.392 -5.679 -13.137 1.00 0.00 C ATOM 684 CD GLU A 213 9.014 -5.807 -13.791 1.00 0.00 C ATOM 685 OE1 GLU A 213 8.108 -6.287 -13.131 1.00 0.00 O ATOM 686 OE2 GLU A 213 8.888 -5.417 -14.938 1.00 0.00 O ATOM 0 H GLU A 213 10.660 -7.068 -9.402 1.00 0.00 H new ATOM 0 HA GLU A 213 12.372 -6.938 -11.720 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.857 -7.209 -11.711 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.700 -5.576 -11.094 1.00 0.00 H new ATOM 0 HG2 GLU A 213 10.707 -4.635 -13.126 1.00 0.00 H new ATOM 0 HG3 GLU A 213 11.134 -6.230 -13.715 1.00 0.00 H new ATOM 693 N HIS A 214 11.894 -4.126 -10.058 1.00 0.00 N ATOM 694 CA HIS A 214 12.452 -2.742 -9.917 1.00 0.00 C ATOM 695 C HIS A 214 13.610 -2.748 -8.921 1.00 0.00 C ATOM 696 O HIS A 214 14.357 -1.793 -8.811 1.00 0.00 O ATOM 697 CB HIS A 214 11.349 -1.811 -9.409 1.00 0.00 C ATOM 698 CG HIS A 214 10.327 -1.607 -10.490 1.00 0.00 C ATOM 699 ND1 HIS A 214 10.417 -0.569 -11.403 1.00 0.00 N ATOM 700 CD2 HIS A 214 9.183 -2.298 -10.812 1.00 0.00 C ATOM 701 CE1 HIS A 214 9.350 -0.660 -12.222 1.00 0.00 C ATOM 702 NE2 HIS A 214 8.569 -1.698 -11.906 1.00 0.00 N ATOM 0 H HIS A 214 11.165 -4.369 -9.387 1.00 0.00 H new ATOM 0 HA HIS A 214 12.816 -2.395 -10.884 1.00 0.00 H new ATOM 0 HB2 HIS A 214 10.877 -2.238 -8.524 1.00 0.00 H new ATOM 0 HB3 HIS A 214 11.776 -0.853 -9.112 1.00 0.00 H new ATOM 0 HD2 HIS A 214 8.817 -3.173 -10.295 1.00 0.00 H new ATOM 0 HE1 HIS A 214 9.150 0.023 -13.035 1.00 0.00 H new ATOM 0 HE2 HIS A 214 7.707 -1.988 -12.368 1.00 0.00 H new ATOM 710 N GLY A 215 13.761 -3.820 -8.202 1.00 0.00 N ATOM 711 CA GLY A 215 14.859 -3.909 -7.204 1.00 0.00 C ATOM 712 C GLY A 215 14.575 -2.952 -6.043 1.00 0.00 C ATOM 713 O GLY A 215 15.473 -2.427 -5.415 1.00 0.00 O ATOM 0 H GLY A 215 13.166 -4.646 -8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 215 14.946 -4.931 -6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 215 15.811 -3.657 -7.672 1.00 0.00 H new ATOM 717 N TRP A 216 13.327 -2.708 -5.763 1.00 0.00 N ATOM 718 CA TRP A 216 12.972 -1.774 -4.659 1.00 0.00 C ATOM 719 C TRP A 216 13.302 -2.387 -3.294 1.00 0.00 C ATOM 720 O TRP A 216 13.235 -3.587 -3.098 1.00 0.00 O ATOM 721 CB TRP A 216 11.466 -1.500 -4.672 1.00 0.00 C ATOM 722 CG TRP A 216 11.039 -0.679 -5.850 1.00 0.00 C ATOM 723 CD1 TRP A 216 11.673 0.413 -6.350 1.00 0.00 C ATOM 724 CD2 TRP A 216 9.844 -0.856 -6.650 1.00 0.00 C ATOM 725 NE1 TRP A 216 10.941 0.902 -7.416 1.00 0.00 N ATOM 726 CE2 TRP A 216 9.802 0.152 -7.642 1.00 0.00 C ATOM 727 CE3 TRP A 216 8.803 -1.799 -6.609 1.00 0.00 C ATOM 728 CZ2 TRP A 216 8.755 0.222 -8.561 1.00 0.00 C ATOM 729 CZ3 TRP A 216 7.752 -1.727 -7.530 1.00 0.00 C ATOM 730 CH2 TRP A 216 7.727 -0.718 -8.505 1.00 0.00 C ATOM 0 H TRP A 216 12.532 -3.118 -6.254 1.00 0.00 H new ATOM 0 HA TRP A 216 13.544 -0.859 -4.811 1.00 0.00 H new ATOM 0 HB2 TRP A 216 10.928 -2.448 -4.681 1.00 0.00 H new ATOM 0 HB3 TRP A 216 11.187 -0.984 -3.754 1.00 0.00 H new ATOM 0 HD1 TRP A 216 12.596 0.830 -5.977 1.00 0.00 H new ATOM 0 HE1 TRP A 216 11.209 1.717 -7.968 1.00 0.00 H new ATOM 0 HE3 TRP A 216 8.814 -2.581 -5.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 8.741 0.999 -9.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 6.954 -2.454 -7.490 1.00 0.00 H new ATOM 0 HH2 TRP A 216 6.912 -0.670 -9.212 1.00 0.00 H new ATOM 741 N SER A 217 13.596 -1.544 -2.336 1.00 0.00 N ATOM 742 CA SER A 217 13.861 -2.025 -0.949 1.00 0.00 C ATOM 743 C SER A 217 12.525 -1.983 -0.216 1.00 0.00 C ATOM 744 O SER A 217 11.991 -0.922 0.034 1.00 0.00 O ATOM 745 CB SER A 217 14.841 -1.090 -0.242 1.00 0.00 C ATOM 746 OG SER A 217 16.063 -1.032 -0.972 1.00 0.00 O ATOM 0 H SER A 217 13.664 -0.534 -2.459 1.00 0.00 H new ATOM 0 HA SER A 217 14.291 -3.027 -0.963 1.00 0.00 H new ATOM 0 HB2 SER A 217 14.410 -0.093 -0.157 1.00 0.00 H new ATOM 0 HB3 SER A 217 15.029 -1.444 0.772 1.00 0.00 H new ATOM 0 HG SER A 217 16.688 -0.430 -0.516 1.00 0.00 H new ATOM 752 N ILE A 218 11.952 -3.110 0.105 1.00 0.00 N ATOM 753 CA ILE A 218 10.620 -3.094 0.788 1.00 0.00 C ATOM 754 C ILE A 218 10.806 -3.167 2.314 1.00 0.00 C ATOM 755 O ILE A 218 11.714 -3.813 2.791 1.00 0.00 O ATOM 756 CB ILE A 218 9.790 -4.291 0.300 1.00 0.00 C ATOM 757 CG1 ILE A 218 10.298 -5.587 0.965 1.00 0.00 C ATOM 758 CG2 ILE A 218 9.908 -4.391 -1.229 1.00 0.00 C ATOM 759 CD1 ILE A 218 9.727 -6.816 0.252 1.00 0.00 C ATOM 0 H ILE A 218 12.341 -4.036 -0.073 1.00 0.00 H new ATOM 0 HA ILE A 218 10.099 -2.167 0.547 1.00 0.00 H new ATOM 0 HB ILE A 218 8.744 -4.152 0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 218 11.387 -5.615 0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 218 10.008 -5.601 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 218 9.322 -5.238 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 218 9.533 -3.474 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 218 10.953 -4.532 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 218 10.096 -7.721 0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 218 8.639 -6.795 0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 218 10.039 -6.809 -0.792 1.00 0.00 H new ATOM 771 N PRO A 219 9.946 -2.527 3.081 1.00 0.00 N ATOM 772 CA PRO A 219 10.034 -2.560 4.569 1.00 0.00 C ATOM 773 C PRO A 219 9.483 -3.877 5.140 1.00 0.00 C ATOM 774 O PRO A 219 8.786 -4.609 4.464 1.00 0.00 O ATOM 775 CB PRO A 219 9.161 -1.377 4.990 1.00 0.00 C ATOM 776 CG PRO A 219 8.108 -1.298 3.935 1.00 0.00 C ATOM 777 CD PRO A 219 8.806 -1.698 2.629 1.00 0.00 C ATOM 0 HA PRO A 219 11.059 -2.497 4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 219 8.724 -1.537 5.976 1.00 0.00 H new ATOM 0 HB3 PRO A 219 9.740 -0.455 5.043 1.00 0.00 H new ATOM 0 HG2 PRO A 219 7.278 -1.969 4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 219 7.695 -0.292 3.867 1.00 0.00 H new ATOM 0 HD2 PRO A 219 8.139 -2.258 1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 219 9.142 -0.824 2.071 1.00 0.00 H new ATOM 785 N SER A 220 9.766 -4.182 6.379 1.00 0.00 N ATOM 786 CA SER A 220 9.227 -5.442 6.955 1.00 0.00 C ATOM 787 C SER A 220 7.700 -5.407 6.844 1.00 0.00 C ATOM 788 O SER A 220 7.079 -4.371 6.982 1.00 0.00 O ATOM 789 CB SER A 220 9.624 -5.554 8.427 1.00 0.00 C ATOM 790 OG SER A 220 11.033 -5.711 8.530 1.00 0.00 O ATOM 0 H SER A 220 10.340 -3.620 7.008 1.00 0.00 H new ATOM 0 HA SER A 220 9.630 -6.299 6.415 1.00 0.00 H new ATOM 0 HB2 SER A 220 9.307 -4.663 8.969 1.00 0.00 H new ATOM 0 HB3 SER A 220 9.119 -6.403 8.887 1.00 0.00 H new ATOM 0 HG SER A 220 11.286 -5.781 9.474 1.00 0.00 H new ATOM 796 N ARG A 221 7.094 -6.525 6.581 1.00 0.00 N ATOM 797 CA ARG A 221 5.614 -6.562 6.434 1.00 0.00 C ATOM 798 C ARG A 221 4.959 -5.901 7.646 1.00 0.00 C ATOM 799 O ARG A 221 4.000 -5.170 7.518 1.00 0.00 O ATOM 800 CB ARG A 221 5.179 -8.023 6.365 1.00 0.00 C ATOM 801 CG ARG A 221 5.639 -8.631 5.038 1.00 0.00 C ATOM 802 CD ARG A 221 5.357 -10.133 5.048 1.00 0.00 C ATOM 803 NE ARG A 221 6.267 -10.803 6.019 1.00 0.00 N ATOM 804 CZ ARG A 221 6.003 -12.008 6.427 1.00 0.00 C ATOM 805 NH1 ARG A 221 4.954 -12.624 5.972 1.00 0.00 N ATOM 806 NH2 ARG A 221 6.792 -12.593 7.289 1.00 0.00 N ATOM 0 H ARG A 221 7.562 -7.423 6.460 1.00 0.00 H new ATOM 0 HA ARG A 221 5.314 -6.029 5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 221 5.605 -8.580 7.199 1.00 0.00 H new ATOM 0 HB3 ARG A 221 4.095 -8.095 6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 221 5.117 -8.157 4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 221 6.704 -8.450 4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 221 4.318 -10.317 5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 221 5.503 -10.548 4.051 1.00 0.00 H new ATOM 0 HE ARG A 221 7.095 -10.317 6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 221 4.343 -12.162 5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 221 4.741 -13.570 6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 221 7.615 -12.104 7.641 1.00 0.00 H new ATOM 0 HH22 ARG A 221 6.585 -13.539 7.610 1.00 0.00 H new ATOM 820 N ALA A 222 5.466 -6.138 8.820 1.00 0.00 N ATOM 821 CA ALA A 222 4.854 -5.504 10.020 1.00 0.00 C ATOM 822 C ALA A 222 4.997 -3.982 9.912 1.00 0.00 C ATOM 823 O ALA A 222 4.095 -3.233 10.241 1.00 0.00 O ATOM 824 CB ALA A 222 5.568 -6.007 11.278 1.00 0.00 C ATOM 0 H ALA A 222 6.271 -6.738 9.002 1.00 0.00 H new ATOM 0 HA ALA A 222 3.797 -5.764 10.080 1.00 0.00 H new ATOM 0 HB1 ALA A 222 5.122 -5.545 12.159 1.00 0.00 H new ATOM 0 HB2 ALA A 222 5.466 -7.090 11.346 1.00 0.00 H new ATOM 0 HB3 ALA A 222 6.625 -5.745 11.226 1.00 0.00 H new ATOM 830 N THR A 223 6.126 -3.525 9.446 1.00 0.00 N ATOM 831 CA THR A 223 6.350 -2.057 9.307 1.00 0.00 C ATOM 832 C THR A 223 5.391 -1.459 8.269 1.00 0.00 C ATOM 833 O THR A 223 4.877 -0.377 8.460 1.00 0.00 O ATOM 834 CB THR A 223 7.802 -1.798 8.876 1.00 0.00 C ATOM 835 OG1 THR A 223 8.690 -2.214 9.904 1.00 0.00 O ATOM 836 CG2 THR A 223 7.998 -0.307 8.591 1.00 0.00 C ATOM 0 H THR A 223 6.909 -4.109 9.153 1.00 0.00 H new ATOM 0 HA THR A 223 6.161 -1.582 10.270 1.00 0.00 H new ATOM 0 HB THR A 223 8.014 -2.366 7.970 1.00 0.00 H new ATOM 0 HG1 THR A 223 9.615 -2.049 9.624 1.00 0.00 H new ATOM 0 HG21 THR A 223 9.029 -0.127 8.286 1.00 0.00 H new ATOM 0 HG22 THR A 223 7.324 0.002 7.792 1.00 0.00 H new ATOM 0 HG23 THR A 223 7.781 0.267 9.492 1.00 0.00 H new ATOM 844 N ALA A 224 5.147 -2.136 7.174 1.00 0.00 N ATOM 845 CA ALA A 224 4.234 -1.565 6.140 1.00 0.00 C ATOM 846 C ALA A 224 2.852 -1.324 6.755 1.00 0.00 C ATOM 847 O ALA A 224 2.334 -0.232 6.709 1.00 0.00 O ATOM 848 CB ALA A 224 4.113 -2.551 4.970 1.00 0.00 C ATOM 0 H ALA A 224 5.538 -3.052 6.954 1.00 0.00 H new ATOM 0 HA ALA A 224 4.637 -0.619 5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.447 -2.137 4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 224 5.097 -2.720 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 224 3.709 -3.497 5.331 1.00 0.00 H new ATOM 854 N PHE A 225 2.259 -2.322 7.346 1.00 0.00 N ATOM 855 CA PHE A 225 0.916 -2.117 7.962 1.00 0.00 C ATOM 856 C PHE A 225 1.001 -1.035 9.035 1.00 0.00 C ATOM 857 O PHE A 225 0.119 -0.208 9.161 1.00 0.00 O ATOM 858 CB PHE A 225 0.421 -3.413 8.593 1.00 0.00 C ATOM 859 CG PHE A 225 -0.926 -3.177 9.251 1.00 0.00 C ATOM 860 CD1 PHE A 225 -2.042 -2.834 8.468 1.00 0.00 C ATOM 861 CD2 PHE A 225 -1.065 -3.320 10.639 1.00 0.00 C ATOM 862 CE1 PHE A 225 -3.292 -2.639 9.069 1.00 0.00 C ATOM 863 CE2 PHE A 225 -2.315 -3.118 11.240 1.00 0.00 C ATOM 864 CZ PHE A 225 -3.428 -2.781 10.457 1.00 0.00 C ATOM 0 H PHE A 225 2.641 -3.264 7.430 1.00 0.00 H new ATOM 0 HA PHE A 225 0.218 -1.809 7.184 1.00 0.00 H new ATOM 0 HB2 PHE A 225 0.335 -4.190 7.833 1.00 0.00 H new ATOM 0 HB3 PHE A 225 1.140 -3.768 9.331 1.00 0.00 H new ATOM 0 HD1 PHE A 225 -1.935 -2.720 7.399 1.00 0.00 H new ATOM 0 HD2 PHE A 225 -0.210 -3.585 11.244 1.00 0.00 H new ATOM 0 HE1 PHE A 225 -4.149 -2.380 8.465 1.00 0.00 H new ATOM 0 HE2 PHE A 225 -2.421 -3.222 12.310 1.00 0.00 H new ATOM 0 HZ PHE A 225 -4.390 -2.631 10.923 1.00 0.00 H new ATOM 874 N ARG A 226 2.053 -1.016 9.803 1.00 0.00 N ATOM 875 CA ARG A 226 2.158 0.035 10.849 1.00 0.00 C ATOM 876 C ARG A 226 2.132 1.397 10.168 1.00 0.00 C ATOM 877 O ARG A 226 1.484 2.314 10.625 1.00 0.00 O ATOM 878 CB ARG A 226 3.470 -0.131 11.616 1.00 0.00 C ATOM 879 CG ARG A 226 3.416 -1.386 12.499 1.00 0.00 C ATOM 880 CD ARG A 226 2.671 -1.102 13.814 1.00 0.00 C ATOM 881 NE ARG A 226 2.810 -2.283 14.709 1.00 0.00 N ATOM 882 CZ ARG A 226 2.578 -2.172 15.981 1.00 0.00 C ATOM 883 NH1 ARG A 226 2.209 -1.025 16.485 1.00 0.00 N ATOM 884 NH2 ARG A 226 2.718 -3.218 16.745 1.00 0.00 N ATOM 0 H ARG A 226 2.833 -1.672 9.753 1.00 0.00 H new ATOM 0 HA ARG A 226 1.327 -0.050 11.549 1.00 0.00 H new ATOM 0 HB2 ARG A 226 4.302 -0.207 10.915 1.00 0.00 H new ATOM 0 HB3 ARG A 226 3.652 0.749 12.233 1.00 0.00 H new ATOM 0 HG2 ARG A 226 2.918 -2.192 11.961 1.00 0.00 H new ATOM 0 HG3 ARG A 226 4.429 -1.726 12.716 1.00 0.00 H new ATOM 0 HD2 ARG A 226 3.080 -0.214 14.295 1.00 0.00 H new ATOM 0 HD3 ARG A 226 1.618 -0.901 13.615 1.00 0.00 H new ATOM 0 HE ARG A 226 3.089 -3.184 14.321 1.00 0.00 H new ATOM 0 HH11 ARG A 226 2.102 -0.212 15.878 1.00 0.00 H new ATOM 0 HH12 ARG A 226 2.028 -0.942 17.485 1.00 0.00 H new ATOM 0 HH21 ARG A 226 3.007 -4.109 16.342 1.00 0.00 H new ATOM 0 HH22 ARG A 226 2.539 -3.146 17.747 1.00 0.00 H new ATOM 898 N ARG A 227 2.801 1.524 9.060 1.00 0.00 N ATOM 899 CA ARG A 227 2.778 2.818 8.325 1.00 0.00 C ATOM 900 C ARG A 227 1.365 3.051 7.779 1.00 0.00 C ATOM 901 O ARG A 227 0.860 4.157 7.809 1.00 0.00 O ATOM 902 CB ARG A 227 3.799 2.776 7.179 1.00 0.00 C ATOM 903 CG ARG A 227 3.766 4.088 6.380 1.00 0.00 C ATOM 904 CD ARG A 227 4.918 4.096 5.364 1.00 0.00 C ATOM 905 NE ARG A 227 4.768 5.253 4.432 1.00 0.00 N ATOM 906 CZ ARG A 227 5.776 5.626 3.695 1.00 0.00 C ATOM 907 NH1 ARG A 227 6.917 4.997 3.789 1.00 0.00 N ATOM 908 NH2 ARG A 227 5.640 6.620 2.853 1.00 0.00 N ATOM 0 H ARG A 227 3.363 0.789 8.630 1.00 0.00 H new ATOM 0 HA ARG A 227 3.043 3.637 8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 227 4.799 2.613 7.581 1.00 0.00 H new ATOM 0 HB3 ARG A 227 3.580 1.936 6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 227 2.811 4.189 5.864 1.00 0.00 H new ATOM 0 HG3 ARG A 227 3.855 4.940 7.054 1.00 0.00 H new ATOM 0 HD2 ARG A 227 5.873 4.160 5.885 1.00 0.00 H new ATOM 0 HD3 ARG A 227 4.924 3.163 4.801 1.00 0.00 H new ATOM 0 HE ARG A 227 3.879 5.750 4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 227 7.017 4.216 4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 227 7.708 5.286 3.214 1.00 0.00 H new ATOM 0 HH21 ARG A 227 4.745 7.103 2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 227 6.429 6.912 2.276 1.00 0.00 H new ATOM 922 N ILE A 228 0.720 2.014 7.286 1.00 0.00 N ATOM 923 CA ILE A 228 -0.663 2.181 6.742 1.00 0.00 C ATOM 924 C ILE A 228 -1.592 2.644 7.861 1.00 0.00 C ATOM 925 O ILE A 228 -2.451 3.476 7.666 1.00 0.00 O ATOM 926 CB ILE A 228 -1.186 0.838 6.224 1.00 0.00 C ATOM 927 CG1 ILE A 228 -0.282 0.314 5.085 1.00 0.00 C ATOM 928 CG2 ILE A 228 -2.637 1.001 5.738 1.00 0.00 C ATOM 929 CD1 ILE A 228 -0.698 0.891 3.726 1.00 0.00 C ATOM 0 H ILE A 228 1.093 1.066 7.239 1.00 0.00 H new ATOM 0 HA ILE A 228 -0.636 2.911 5.933 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.167 0.108 7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.755 0.578 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.333 -0.774 5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.007 0.044 5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.262 1.338 6.565 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.671 1.737 4.934 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -0.041 0.501 2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -1.727 0.605 3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -0.622 1.978 3.754 1.00 0.00 H new ATOM 941 N GLN A 229 -1.438 2.098 9.034 1.00 0.00 N ATOM 942 CA GLN A 229 -2.328 2.512 10.164 1.00 0.00 C ATOM 943 C GLN A 229 -2.024 3.966 10.534 1.00 0.00 C ATOM 944 O GLN A 229 -2.863 4.667 11.068 1.00 0.00 O ATOM 945 CB GLN A 229 -2.098 1.608 11.379 1.00 0.00 C ATOM 946 CG GLN A 229 -3.026 2.030 12.534 1.00 0.00 C ATOM 947 CD GLN A 229 -2.783 1.121 13.731 1.00 0.00 C ATOM 948 OE1 GLN A 229 -3.669 0.400 14.155 1.00 0.00 O ATOM 949 NE2 GLN A 229 -1.606 1.120 14.293 1.00 0.00 N ATOM 0 H GLN A 229 -0.742 1.388 9.263 1.00 0.00 H new ATOM 0 HA GLN A 229 -3.369 2.420 9.855 1.00 0.00 H new ATOM 0 HB2 GLN A 229 -2.288 0.569 11.110 1.00 0.00 H new ATOM 0 HB3 GLN A 229 -1.057 1.670 11.697 1.00 0.00 H new ATOM 0 HG2 GLN A 229 -2.837 3.068 12.807 1.00 0.00 H new ATOM 0 HG3 GLN A 229 -4.068 1.967 12.220 1.00 0.00 H new ATOM 0 HE21 GLN A 229 -0.869 1.726 13.933 1.00 0.00 H new ATOM 0 HE22 GLN A 229 -1.423 0.513 15.092 1.00 0.00 H new ATOM 958 N GLN A 230 -0.833 4.426 10.253 1.00 0.00 N ATOM 959 CA GLN A 230 -0.481 5.830 10.584 1.00 0.00 C ATOM 960 C GLN A 230 -1.113 6.758 9.534 1.00 0.00 C ATOM 961 O GLN A 230 -1.118 7.962 9.681 1.00 0.00 O ATOM 962 CB GLN A 230 1.040 5.983 10.549 1.00 0.00 C ATOM 963 CG GLN A 230 1.446 7.359 11.078 1.00 0.00 C ATOM 964 CD GLN A 230 2.970 7.451 11.098 1.00 0.00 C ATOM 965 OE1 GLN A 230 3.629 6.867 10.264 1.00 0.00 O ATOM 966 NE2 GLN A 230 3.567 8.154 12.015 1.00 0.00 N ATOM 0 H GLN A 230 -0.091 3.886 9.808 1.00 0.00 H new ATOM 0 HA GLN A 230 -0.851 6.088 11.576 1.00 0.00 H new ATOM 0 HB2 GLN A 230 1.505 5.202 11.151 1.00 0.00 H new ATOM 0 HB3 GLN A 230 1.402 5.857 9.529 1.00 0.00 H new ATOM 0 HG2 GLN A 230 1.029 8.144 10.447 1.00 0.00 H new ATOM 0 HG3 GLN A 230 1.046 7.511 12.081 1.00 0.00 H new ATOM 0 HE21 GLN A 230 3.017 8.647 12.719 1.00 0.00 H new ATOM 0 HE22 GLN A 230 4.585 8.212 12.031 1.00 0.00 H new ATOM 975 N LEU A 231 -1.651 6.207 8.470 1.00 0.00 N ATOM 976 CA LEU A 231 -2.280 7.077 7.425 1.00 0.00 C ATOM 977 C LEU A 231 -3.560 7.686 7.994 1.00 0.00 C ATOM 978 O LEU A 231 -3.531 8.730 8.618 1.00 0.00 O ATOM 979 CB LEU A 231 -2.617 6.247 6.183 1.00 0.00 C ATOM 980 CG LEU A 231 -1.321 5.802 5.487 1.00 0.00 C ATOM 981 CD1 LEU A 231 -1.669 4.856 4.332 1.00 0.00 C ATOM 982 CD2 LEU A 231 -0.544 7.021 4.948 1.00 0.00 C ATOM 0 H LEU A 231 -1.682 5.205 8.282 1.00 0.00 H new ATOM 0 HA LEU A 231 -1.584 7.867 7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -3.207 5.375 6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -3.226 6.834 5.496 1.00 0.00 H new ATOM 0 HG LEU A 231 -0.690 5.287 6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -0.753 4.537 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -2.193 3.983 4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -2.309 5.374 3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 231 0.370 6.683 4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -1.163 7.558 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -0.289 7.685 5.774 1.00 0.00 H new ATOM 994 N ASP A 232 -4.680 7.035 7.804 1.00 0.00 N ATOM 995 CA ASP A 232 -5.954 7.578 8.355 1.00 0.00 C ATOM 996 C ASP A 232 -7.103 6.587 8.147 1.00 0.00 C ATOM 997 O ASP A 232 -7.078 5.763 7.257 1.00 0.00 O ATOM 998 CB ASP A 232 -6.305 8.888 7.647 1.00 0.00 C ATOM 999 CG ASP A 232 -7.400 9.606 8.435 1.00 0.00 C ATOM 1000 OD1 ASP A 232 -7.060 10.329 9.357 1.00 0.00 O ATOM 1001 OD2 ASP A 232 -8.560 9.418 8.106 1.00 0.00 O ATOM 0 H ASP A 232 -4.765 6.156 7.294 1.00 0.00 H new ATOM 0 HA ASP A 232 -5.816 7.749 9.423 1.00 0.00 H new ATOM 0 HB2 ASP A 232 -5.421 9.521 7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 232 -6.644 8.687 6.631 1.00 0.00 H new ATOM 1006 N GLU A 233 -8.119 6.680 8.960 1.00 0.00 N ATOM 1007 CA GLU A 233 -9.287 5.772 8.805 1.00 0.00 C ATOM 1008 C GLU A 233 -10.027 6.161 7.527 1.00 0.00 C ATOM 1009 O GLU A 233 -10.624 5.338 6.860 1.00 0.00 O ATOM 1010 CB GLU A 233 -10.218 5.931 10.004 1.00 0.00 C ATOM 1011 CG GLU A 233 -9.565 5.349 11.257 1.00 0.00 C ATOM 1012 CD GLU A 233 -10.515 5.536 12.443 1.00 0.00 C ATOM 1013 OE1 GLU A 233 -11.435 4.747 12.568 1.00 0.00 O ATOM 1014 OE2 GLU A 233 -10.305 6.463 13.207 1.00 0.00 O ATOM 0 H GLU A 233 -8.189 7.349 9.727 1.00 0.00 H new ATOM 0 HA GLU A 233 -8.956 4.735 8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -10.446 6.985 10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -11.164 5.426 9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -9.347 4.291 11.112 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -8.615 5.846 11.453 1.00 0.00 H new ATOM 1021 N ALA A 234 -9.980 7.419 7.183 1.00 0.00 N ATOM 1022 CA ALA A 234 -10.660 7.890 5.948 1.00 0.00 C ATOM 1023 C ALA A 234 -10.050 7.186 4.751 1.00 0.00 C ATOM 1024 O ALA A 234 -10.674 7.022 3.724 1.00 0.00 O ATOM 1025 CB ALA A 234 -10.453 9.389 5.806 1.00 0.00 C ATOM 0 H ALA A 234 -9.495 8.145 7.711 1.00 0.00 H new ATOM 0 HA ALA A 234 -11.726 7.670 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 234 -10.950 9.741 4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 234 -10.874 9.898 6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 234 -9.386 9.605 5.742 1.00 0.00 H new ATOM 1031 N MET A 235 -8.834 6.763 4.871 1.00 0.00 N ATOM 1032 CA MET A 235 -8.192 6.065 3.738 1.00 0.00 C ATOM 1033 C MET A 235 -9.015 4.812 3.405 1.00 0.00 C ATOM 1034 O MET A 235 -9.229 4.494 2.253 1.00 0.00 O ATOM 1035 CB MET A 235 -6.769 5.659 4.145 1.00 0.00 C ATOM 1036 CG MET A 235 -6.024 5.059 2.944 1.00 0.00 C ATOM 1037 SD MET A 235 -4.595 4.103 3.516 1.00 0.00 S ATOM 1038 CE MET A 235 -5.500 2.811 4.399 1.00 0.00 C ATOM 0 H MET A 235 -8.256 6.870 5.704 1.00 0.00 H new ATOM 0 HA MET A 235 -8.146 6.716 2.865 1.00 0.00 H new ATOM 0 HB2 MET A 235 -6.228 6.528 4.520 1.00 0.00 H new ATOM 0 HB3 MET A 235 -6.808 4.933 4.957 1.00 0.00 H new ATOM 0 HG2 MET A 235 -6.695 4.418 2.372 1.00 0.00 H new ATOM 0 HG3 MET A 235 -5.696 5.854 2.275 1.00 0.00 H new ATOM 0 HE1 MET A 235 -4.946 1.874 4.341 1.00 0.00 H new ATOM 0 HE2 MET A 235 -5.618 3.099 5.444 1.00 0.00 H new ATOM 0 HE3 MET A 235 -6.483 2.680 3.946 1.00 0.00 H new ATOM 1048 N VAL A 236 -9.492 4.102 4.399 1.00 0.00 N ATOM 1049 CA VAL A 236 -10.305 2.876 4.108 1.00 0.00 C ATOM 1050 C VAL A 236 -11.593 3.278 3.398 1.00 0.00 C ATOM 1051 O VAL A 236 -12.014 2.644 2.456 1.00 0.00 O ATOM 1052 CB VAL A 236 -10.633 2.146 5.419 1.00 0.00 C ATOM 1053 CG1 VAL A 236 -11.671 1.041 5.170 1.00 0.00 C ATOM 1054 CG2 VAL A 236 -9.349 1.511 5.967 1.00 0.00 C ATOM 0 H VAL A 236 -9.357 4.313 5.388 1.00 0.00 H new ATOM 0 HA VAL A 236 -9.734 2.206 3.465 1.00 0.00 H new ATOM 0 HB VAL A 236 -11.040 2.861 6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -11.893 0.533 6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -12.584 1.483 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -11.273 0.323 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -9.570 0.990 6.898 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -8.954 0.802 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -8.609 2.289 6.154 1.00 0.00 H new ATOM 1064 N VAL A 237 -12.210 4.337 3.842 1.00 0.00 N ATOM 1065 CA VAL A 237 -13.470 4.819 3.210 1.00 0.00 C ATOM 1066 C VAL A 237 -13.145 5.502 1.883 1.00 0.00 C ATOM 1067 O VAL A 237 -14.013 5.998 1.193 1.00 0.00 O ATOM 1068 CB VAL A 237 -14.135 5.818 4.158 1.00 0.00 C ATOM 1069 CG1 VAL A 237 -15.501 6.223 3.601 1.00 0.00 C ATOM 1070 CG2 VAL A 237 -14.310 5.163 5.529 1.00 0.00 C ATOM 0 H VAL A 237 -11.888 4.899 4.630 1.00 0.00 H new ATOM 0 HA VAL A 237 -14.142 3.982 3.021 1.00 0.00 H new ATOM 0 HB VAL A 237 -13.512 6.707 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 237 -15.973 6.935 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 237 -15.372 6.684 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 237 -16.132 5.339 3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 237 -14.784 5.869 6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 237 -14.936 4.276 5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 237 -13.335 4.877 5.923 1.00 0.00 H new ATOM 1080 N ALA A 238 -11.893 5.553 1.541 1.00 0.00 N ATOM 1081 CA ALA A 238 -11.481 6.233 0.285 1.00 0.00 C ATOM 1082 C ALA A 238 -12.246 5.660 -0.918 1.00 0.00 C ATOM 1083 O ALA A 238 -13.322 6.110 -1.253 1.00 0.00 O ATOM 1084 CB ALA A 238 -9.965 6.034 0.079 1.00 0.00 C ATOM 0 H ALA A 238 -11.129 5.149 2.082 1.00 0.00 H new ATOM 0 HA ALA A 238 -11.711 7.296 0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 238 -9.655 6.530 -0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 238 -9.424 6.462 0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 238 -9.744 4.969 0.009 1.00 0.00 H new