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 Set 1.1: A 220 SER OG : rot -70:sc= 1.51 USER MOD Set 1.2: A 223 THR OG1 : rot 56:sc= 1.49 USER MOD Single : A 186 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.36) USER MOD Single : A 192 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.18) USER MOD Single : A 203 CYS SG : rot 180:sc= 0 USER MOD Single : A 204 TYR OH : rot -153:sc= 0.106 USER MOD Single : A 214 HIS : no HD1:sc= -3.97! K(o=-4!,f=-2.5) USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 229 GLN : amide:sc=-0.00319 K(o=-0.0032,f=-0.73) USER MOD Single : A 230 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.27) USER MOD Single : A 235 MET CE :methyl -152:sc= -0.758 (180deg=-2.09!) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 181 12.471 2.754 -1.520 1.00 0.00 N ATOM 136 CA ASP A 181 12.139 3.288 -2.876 1.00 0.00 C ATOM 137 C ASP A 181 10.699 3.801 -2.907 1.00 0.00 C ATOM 138 O ASP A 181 9.766 3.077 -2.627 1.00 0.00 O ATOM 139 CB ASP A 181 12.281 2.166 -3.912 1.00 0.00 C ATOM 140 CG ASP A 181 13.762 1.846 -4.131 1.00 0.00 C ATOM 141 OD1 ASP A 181 14.316 1.127 -3.317 1.00 0.00 O ATOM 142 OD2 ASP A 181 14.315 2.315 -5.114 1.00 0.00 O ATOM 0 HA ASP A 181 12.821 4.107 -3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 181 11.754 1.275 -3.571 1.00 0.00 H new ATOM 0 HB3 ASP A 181 11.822 2.468 -4.853 1.00 0.00 H new ATOM 147 N GLU A 182 10.515 5.039 -3.271 1.00 0.00 N ATOM 148 CA GLU A 182 9.140 5.597 -3.343 1.00 0.00 C ATOM 149 C GLU A 182 8.309 4.783 -4.337 1.00 0.00 C ATOM 150 O GLU A 182 7.114 4.627 -4.181 1.00 0.00 O ATOM 151 CB GLU A 182 9.218 7.048 -3.820 1.00 0.00 C ATOM 152 CG GLU A 182 9.986 7.113 -5.145 1.00 0.00 C ATOM 153 CD GLU A 182 10.148 8.573 -5.558 1.00 0.00 C ATOM 154 OE1 GLU A 182 10.562 9.357 -4.720 1.00 0.00 O ATOM 155 OE2 GLU A 182 9.869 8.883 -6.704 1.00 0.00 O ATOM 0 H GLU A 182 11.260 5.688 -3.522 1.00 0.00 H new ATOM 0 HA GLU A 182 8.673 5.553 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 182 8.214 7.453 -3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 182 9.715 7.662 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 182 10.963 6.642 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 182 9.450 6.561 -5.917 1.00 0.00 H new ATOM 162 N ASP A 183 8.926 4.277 -5.369 1.00 0.00 N ATOM 163 CA ASP A 183 8.169 3.499 -6.390 1.00 0.00 C ATOM 164 C ASP A 183 7.499 2.272 -5.757 1.00 0.00 C ATOM 165 O ASP A 183 6.377 1.933 -6.090 1.00 0.00 O ATOM 166 CB ASP A 183 9.150 3.041 -7.472 1.00 0.00 C ATOM 167 CG ASP A 183 9.622 4.254 -8.266 1.00 0.00 C ATOM 168 OD1 ASP A 183 10.613 4.843 -7.870 1.00 0.00 O ATOM 169 OD2 ASP A 183 8.985 4.580 -9.253 1.00 0.00 O ATOM 0 H ASP A 183 9.926 4.369 -5.550 1.00 0.00 H new ATOM 0 HA ASP A 183 7.390 4.130 -6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 183 10.002 2.535 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 183 8.669 2.322 -8.135 1.00 0.00 H new ATOM 174 N ALA A 184 8.158 1.596 -4.859 1.00 0.00 N ATOM 175 CA ALA A 184 7.522 0.394 -4.240 1.00 0.00 C ATOM 176 C ALA A 184 6.432 0.826 -3.257 1.00 0.00 C ATOM 177 O ALA A 184 5.330 0.319 -3.284 1.00 0.00 O ATOM 178 CB ALA A 184 8.583 -0.432 -3.511 1.00 0.00 C ATOM 0 H ALA A 184 9.097 1.817 -4.528 1.00 0.00 H new ATOM 0 HA ALA A 184 7.070 -0.214 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 184 8.116 -1.308 -3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 184 9.346 -0.752 -4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 184 9.044 0.175 -2.732 1.00 0.00 H new ATOM 184 N TRP A 185 6.718 1.761 -2.394 1.00 0.00 N ATOM 185 CA TRP A 185 5.681 2.207 -1.430 1.00 0.00 C ATOM 186 C TRP A 185 4.483 2.757 -2.203 1.00 0.00 C ATOM 187 O TRP A 185 3.350 2.441 -1.911 1.00 0.00 O ATOM 188 CB TRP A 185 6.251 3.298 -0.529 1.00 0.00 C ATOM 189 CG TRP A 185 5.209 3.714 0.454 1.00 0.00 C ATOM 190 CD1 TRP A 185 4.637 4.939 0.505 1.00 0.00 C ATOM 191 CD2 TRP A 185 4.600 2.934 1.524 1.00 0.00 C ATOM 192 NE1 TRP A 185 3.709 4.958 1.532 1.00 0.00 N ATOM 193 CE2 TRP A 185 3.650 3.747 2.189 1.00 0.00 C ATOM 194 CE3 TRP A 185 4.773 1.611 1.977 1.00 0.00 C ATOM 195 CZ2 TRP A 185 2.898 3.264 3.262 1.00 0.00 C ATOM 196 CZ3 TRP A 185 4.018 1.124 3.056 1.00 0.00 C ATOM 197 CH2 TRP A 185 3.082 1.947 3.696 1.00 0.00 C ATOM 0 H TRP A 185 7.620 2.231 -2.317 1.00 0.00 H new ATOM 0 HA TRP A 185 5.367 1.363 -0.815 1.00 0.00 H new ATOM 0 HB2 TRP A 185 7.135 2.931 -0.007 1.00 0.00 H new ATOM 0 HB3 TRP A 185 6.566 4.153 -1.127 1.00 0.00 H new ATOM 0 HD1 TRP A 185 4.867 5.767 -0.149 1.00 0.00 H new ATOM 0 HE1 TRP A 185 3.139 5.769 1.773 1.00 0.00 H new ATOM 0 HE3 TRP A 185 5.491 0.967 1.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 2.179 3.903 3.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 4.160 0.108 3.395 1.00 0.00 H new ATOM 0 HH2 TRP A 185 2.503 1.565 4.524 1.00 0.00 H new ATOM 208 N GLN A 186 4.726 3.572 -3.194 1.00 0.00 N ATOM 209 CA GLN A 186 3.602 4.134 -3.995 1.00 0.00 C ATOM 210 C GLN A 186 2.833 2.990 -4.657 1.00 0.00 C ATOM 211 O GLN A 186 1.621 3.009 -4.744 1.00 0.00 O ATOM 212 CB GLN A 186 4.138 5.099 -5.056 1.00 0.00 C ATOM 213 CG GLN A 186 4.654 6.375 -4.375 1.00 0.00 C ATOM 214 CD GLN A 186 3.476 7.191 -3.828 1.00 0.00 C ATOM 215 OE1 GLN A 186 2.558 7.516 -4.557 1.00 0.00 O ATOM 216 NE2 GLN A 186 3.465 7.541 -2.567 1.00 0.00 N ATOM 0 H GLN A 186 5.657 3.873 -3.483 1.00 0.00 H new ATOM 0 HA GLN A 186 2.930 4.687 -3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 186 4.941 4.625 -5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 186 3.351 5.347 -5.768 1.00 0.00 H new ATOM 0 HG2 GLN A 186 5.334 6.115 -3.564 1.00 0.00 H new ATOM 0 HG3 GLN A 186 5.222 6.973 -5.088 1.00 0.00 H new ATOM 0 HE21 GLN A 186 4.235 7.269 -1.955 1.00 0.00 H new ATOM 0 HE22 GLN A 186 2.687 8.086 -2.196 1.00 0.00 H new ATOM 225 N PHE A 187 3.532 1.996 -5.136 1.00 0.00 N ATOM 226 CA PHE A 187 2.840 0.858 -5.802 1.00 0.00 C ATOM 227 C PHE A 187 1.870 0.214 -4.807 1.00 0.00 C ATOM 228 O PHE A 187 0.729 -0.043 -5.123 1.00 0.00 O ATOM 229 CB PHE A 187 3.882 -0.175 -6.254 1.00 0.00 C ATOM 230 CG PHE A 187 3.271 -1.105 -7.285 1.00 0.00 C ATOM 231 CD1 PHE A 187 2.337 -2.079 -6.902 1.00 0.00 C ATOM 232 CD2 PHE A 187 3.644 -0.984 -8.630 1.00 0.00 C ATOM 233 CE1 PHE A 187 1.783 -2.931 -7.868 1.00 0.00 C ATOM 234 CE2 PHE A 187 3.088 -1.834 -9.592 1.00 0.00 C ATOM 235 CZ PHE A 187 2.159 -2.809 -9.213 1.00 0.00 C ATOM 0 H PHE A 187 4.549 1.924 -5.095 1.00 0.00 H new ATOM 0 HA PHE A 187 2.287 1.215 -6.671 1.00 0.00 H new ATOM 0 HB2 PHE A 187 4.750 0.331 -6.677 1.00 0.00 H new ATOM 0 HB3 PHE A 187 4.234 -0.749 -5.397 1.00 0.00 H new ATOM 0 HD1 PHE A 187 2.046 -2.172 -5.866 1.00 0.00 H new ATOM 0 HD2 PHE A 187 4.362 -0.233 -8.925 1.00 0.00 H new ATOM 0 HE1 PHE A 187 1.065 -3.683 -7.575 1.00 0.00 H new ATOM 0 HE2 PHE A 187 3.376 -1.737 -10.628 1.00 0.00 H new ATOM 0 HZ PHE A 187 1.732 -3.467 -9.956 1.00 0.00 H new ATOM 245 N LEU A 188 2.312 -0.040 -3.607 1.00 0.00 N ATOM 246 CA LEU A 188 1.410 -0.652 -2.584 1.00 0.00 C ATOM 247 C LEU A 188 0.201 0.257 -2.327 1.00 0.00 C ATOM 248 O LEU A 188 -0.932 -0.182 -2.307 1.00 0.00 O ATOM 249 CB LEU A 188 2.204 -0.838 -1.290 1.00 0.00 C ATOM 250 CG LEU A 188 1.323 -1.439 -0.182 1.00 0.00 C ATOM 251 CD1 LEU A 188 0.783 -2.810 -0.617 1.00 0.00 C ATOM 252 CD2 LEU A 188 2.176 -1.591 1.085 1.00 0.00 C ATOM 0 H LEU A 188 3.262 0.150 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 188 1.044 -1.614 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 188 3.058 -1.490 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 188 2.601 0.123 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 188 0.474 -0.783 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 188 0.161 -3.224 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.188 -2.696 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 188 1.617 -3.484 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 188 1.568 -2.016 1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 188 3.019 -2.251 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 188 2.548 -0.614 1.393 1.00 0.00 H new ATOM 264 N ILE A 189 0.443 1.517 -2.106 1.00 0.00 N ATOM 265 CA ILE A 189 -0.669 2.469 -1.825 1.00 0.00 C ATOM 266 C ILE A 189 -1.654 2.514 -2.999 1.00 0.00 C ATOM 267 O ILE A 189 -2.847 2.607 -2.810 1.00 0.00 O ATOM 268 CB ILE A 189 -0.095 3.873 -1.589 1.00 0.00 C ATOM 269 CG1 ILE A 189 0.837 3.883 -0.357 1.00 0.00 C ATOM 270 CG2 ILE A 189 -1.244 4.858 -1.376 1.00 0.00 C ATOM 271 CD1 ILE A 189 0.112 3.375 0.900 1.00 0.00 C ATOM 0 H ILE A 189 1.374 1.934 -2.108 1.00 0.00 H new ATOM 0 HA ILE A 189 -1.200 2.130 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 189 0.487 4.167 -2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 189 1.709 3.259 -0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 189 1.203 4.895 -0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 189 -0.841 5.857 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 189 -1.883 4.868 -2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 189 -1.829 4.552 -0.509 1.00 0.00 H new ATOM 0 HD11 ILE A 189 0.797 3.395 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 189 -0.745 4.016 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 189 -0.231 2.354 0.735 1.00 0.00 H new ATOM 283 N ALA A 190 -1.168 2.484 -4.209 1.00 0.00 N ATOM 284 CA ALA A 190 -2.091 2.557 -5.381 1.00 0.00 C ATOM 285 C ALA A 190 -3.060 1.371 -5.378 1.00 0.00 C ATOM 286 O ALA A 190 -4.246 1.533 -5.578 1.00 0.00 O ATOM 287 CB ALA A 190 -1.270 2.550 -6.672 1.00 0.00 C ATOM 0 H ALA A 190 -0.177 2.412 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 190 -2.671 3.477 -5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -1.940 2.603 -7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -0.600 3.409 -6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -0.684 1.632 -6.726 1.00 0.00 H new ATOM 293 N ASP A 191 -2.580 0.180 -5.156 1.00 0.00 N ATOM 294 CA ASP A 191 -3.502 -0.999 -5.150 1.00 0.00 C ATOM 295 C ASP A 191 -4.397 -0.970 -3.903 1.00 0.00 C ATOM 296 O ASP A 191 -5.570 -1.291 -3.962 1.00 0.00 O ATOM 297 CB ASP A 191 -2.676 -2.288 -5.149 1.00 0.00 C ATOM 298 CG ASP A 191 -1.992 -2.447 -6.510 1.00 0.00 C ATOM 299 OD1 ASP A 191 -0.905 -1.914 -6.672 1.00 0.00 O ATOM 300 OD2 ASP A 191 -2.568 -3.095 -7.367 1.00 0.00 O ATOM 0 H ASP A 191 -1.598 -0.032 -4.979 1.00 0.00 H new ATOM 0 HA ASP A 191 -4.131 -0.960 -6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 191 -1.930 -2.256 -4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 191 -3.318 -3.146 -4.949 1.00 0.00 H new ATOM 305 N TYR A 192 -3.854 -0.598 -2.775 1.00 0.00 N ATOM 306 CA TYR A 192 -4.668 -0.566 -1.522 1.00 0.00 C ATOM 307 C TYR A 192 -5.843 0.406 -1.680 1.00 0.00 C ATOM 308 O TYR A 192 -6.938 0.149 -1.220 1.00 0.00 O ATOM 309 CB TYR A 192 -3.787 -0.110 -0.351 1.00 0.00 C ATOM 310 CG TYR A 192 -4.476 -0.434 0.951 1.00 0.00 C ATOM 311 CD1 TYR A 192 -4.301 -1.694 1.535 1.00 0.00 C ATOM 312 CD2 TYR A 192 -5.290 0.517 1.573 1.00 0.00 C ATOM 313 CE1 TYR A 192 -4.940 -2.001 2.740 1.00 0.00 C ATOM 314 CE2 TYR A 192 -5.929 0.209 2.775 1.00 0.00 C ATOM 315 CZ TYR A 192 -5.754 -1.048 3.358 1.00 0.00 C ATOM 316 OH TYR A 192 -6.379 -1.346 4.549 1.00 0.00 O ATOM 0 H TYR A 192 -2.880 -0.314 -2.665 1.00 0.00 H new ATOM 0 HA TYR A 192 -5.055 -1.566 -1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -2.818 -0.607 -0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -3.599 0.962 -0.419 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -3.672 -2.429 1.055 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -5.424 1.490 1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -4.805 -2.972 3.192 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -6.559 0.943 3.255 1.00 0.00 H new ATOM 0 HH TYR A 192 -6.906 -0.574 4.844 1.00 0.00 H new ATOM 326 N LEU A 193 -5.621 1.527 -2.311 1.00 0.00 N ATOM 327 CA LEU A 193 -6.723 2.523 -2.472 1.00 0.00 C ATOM 328 C LEU A 193 -7.647 2.124 -3.628 1.00 0.00 C ATOM 329 O LEU A 193 -8.665 2.747 -3.847 1.00 0.00 O ATOM 330 CB LEU A 193 -6.131 3.906 -2.762 1.00 0.00 C ATOM 331 CG LEU A 193 -5.222 4.337 -1.600 1.00 0.00 C ATOM 332 CD1 LEU A 193 -4.514 5.649 -1.958 1.00 0.00 C ATOM 333 CD2 LEU A 193 -6.050 4.535 -0.320 1.00 0.00 C ATOM 0 H LEU A 193 -4.727 1.797 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.300 2.550 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -5.562 3.880 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -6.932 4.633 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 193 -4.481 3.557 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -3.870 5.952 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -3.911 5.504 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.257 6.425 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -5.393 4.840 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -6.802 5.306 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -6.543 3.599 -0.057 1.00 0.00 H new ATOM 345 N ARG A 194 -7.323 1.092 -4.363 1.00 0.00 N ATOM 346 CA ARG A 194 -8.221 0.685 -5.486 1.00 0.00 C ATOM 347 C ARG A 194 -9.440 -0.058 -4.910 1.00 0.00 C ATOM 348 O ARG A 194 -9.336 -0.717 -3.896 1.00 0.00 O ATOM 349 CB ARG A 194 -7.466 -0.239 -6.454 1.00 0.00 C ATOM 350 CG ARG A 194 -6.570 0.587 -7.397 1.00 0.00 C ATOM 351 CD ARG A 194 -7.368 1.098 -8.607 1.00 0.00 C ATOM 352 NE ARG A 194 -8.151 -0.015 -9.237 1.00 0.00 N ATOM 353 CZ ARG A 194 -7.585 -1.140 -9.586 1.00 0.00 C ATOM 354 NH1 ARG A 194 -6.289 -1.244 -9.652 1.00 0.00 N ATOM 355 NH2 ARG A 194 -8.321 -2.152 -9.932 1.00 0.00 N ATOM 0 H ARG A 194 -6.488 0.520 -4.238 1.00 0.00 H new ATOM 0 HA ARG A 194 -8.549 1.572 -6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -6.857 -0.947 -5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -8.177 -0.824 -7.037 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -6.145 1.431 -6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -5.735 -0.024 -7.739 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -8.045 1.892 -8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -6.688 1.531 -9.341 1.00 0.00 H new ATOM 0 HE ARG A 194 -9.151 0.109 -9.397 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -5.701 -0.441 -9.430 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -5.862 -2.129 -9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -9.337 -2.067 -9.931 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -7.883 -3.032 -10.205 1.00 0.00 H new ATOM 369 N PRO A 195 -10.582 0.040 -5.550 1.00 0.00 N ATOM 370 CA PRO A 195 -11.824 -0.637 -5.075 1.00 0.00 C ATOM 371 C PRO A 195 -11.726 -2.160 -5.217 1.00 0.00 C ATOM 372 O PRO A 195 -12.630 -2.886 -4.853 1.00 0.00 O ATOM 373 CB PRO A 195 -12.930 -0.064 -5.979 1.00 0.00 C ATOM 374 CG PRO A 195 -12.222 0.358 -7.225 1.00 0.00 C ATOM 375 CD PRO A 195 -10.817 0.791 -6.795 1.00 0.00 C ATOM 0 HA PRO A 195 -12.012 -0.459 -4.016 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -13.694 -0.812 -6.192 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -13.432 0.779 -5.504 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -12.174 -0.462 -7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -12.749 1.178 -7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -10.074 0.548 -7.555 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -10.764 1.867 -6.629 1.00 0.00 H new ATOM 383 N GLU A 196 -10.628 -2.646 -5.730 1.00 0.00 N ATOM 384 CA GLU A 196 -10.459 -4.118 -5.873 1.00 0.00 C ATOM 385 C GLU A 196 -10.471 -4.740 -4.474 1.00 0.00 C ATOM 386 O GLU A 196 -11.039 -5.795 -4.259 1.00 0.00 O ATOM 387 CB GLU A 196 -9.123 -4.417 -6.564 1.00 0.00 C ATOM 388 CG GLU A 196 -8.944 -5.933 -6.739 1.00 0.00 C ATOM 389 CD GLU A 196 -10.022 -6.461 -7.687 1.00 0.00 C ATOM 390 OE1 GLU A 196 -10.527 -5.673 -8.469 1.00 0.00 O ATOM 391 OE2 GLU A 196 -10.324 -7.643 -7.616 1.00 0.00 O ATOM 0 H GLU A 196 -9.841 -2.085 -6.056 1.00 0.00 H new ATOM 0 HA GLU A 196 -11.266 -4.535 -6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -9.090 -3.925 -7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -8.301 -4.012 -5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -7.953 -6.151 -7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -9.015 -6.433 -5.773 1.00 0.00 H new ATOM 398 N LYS A 197 -9.842 -4.089 -3.524 1.00 0.00 N ATOM 399 CA LYS A 197 -9.805 -4.622 -2.120 1.00 0.00 C ATOM 400 C LYS A 197 -9.156 -6.016 -2.085 1.00 0.00 C ATOM 401 O LYS A 197 -9.782 -6.981 -1.702 1.00 0.00 O ATOM 402 CB LYS A 197 -11.229 -4.736 -1.557 1.00 0.00 C ATOM 403 CG LYS A 197 -11.971 -3.405 -1.695 1.00 0.00 C ATOM 404 CD LYS A 197 -13.470 -3.639 -1.455 1.00 0.00 C ATOM 405 CE LYS A 197 -14.159 -2.306 -1.152 1.00 0.00 C ATOM 406 NZ LYS A 197 -15.632 -2.456 -1.317 1.00 0.00 N ATOM 0 H LYS A 197 -9.349 -3.206 -3.660 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.218 -3.929 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -11.773 -5.518 -2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -11.189 -5.029 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -11.583 -2.682 -0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -11.810 -2.986 -2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -13.921 -4.101 -2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -13.611 -4.330 -0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -13.927 -1.988 -0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -13.785 -1.531 -1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -16.099 -1.550 -1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -15.845 -2.740 -2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -15.983 -3.183 -0.661 1.00 0.00 H new ATOM 420 N PRO A 198 -7.911 -6.124 -2.475 1.00 0.00 N ATOM 421 CA PRO A 198 -7.177 -7.428 -2.481 1.00 0.00 C ATOM 422 C PRO A 198 -6.740 -7.828 -1.065 1.00 0.00 C ATOM 423 O PRO A 198 -6.700 -7.006 -0.170 1.00 0.00 O ATOM 424 CB PRO A 198 -5.968 -7.147 -3.385 1.00 0.00 C ATOM 425 CG PRO A 198 -5.700 -5.684 -3.213 1.00 0.00 C ATOM 426 CD PRO A 198 -7.061 -5.019 -2.950 1.00 0.00 C ATOM 0 HA PRO A 198 -7.786 -8.260 -2.835 1.00 0.00 H new ATOM 0 HB2 PRO A 198 -5.106 -7.745 -3.091 1.00 0.00 H new ATOM 0 HB3 PRO A 198 -6.185 -7.391 -4.425 1.00 0.00 H new ATOM 0 HG2 PRO A 198 -5.016 -5.510 -2.382 1.00 0.00 H new ATOM 0 HG3 PRO A 198 -5.231 -5.268 -4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 198 -6.981 -4.228 -2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 198 -7.465 -4.565 -3.855 1.00 0.00 H new ATOM 434 N ALA A 199 -6.420 -9.073 -0.836 1.00 0.00 N ATOM 435 CA ALA A 199 -6.005 -9.468 0.540 1.00 0.00 C ATOM 436 C ALA A 199 -4.673 -8.780 0.867 1.00 0.00 C ATOM 437 O ALA A 199 -3.753 -8.783 0.076 1.00 0.00 O ATOM 438 CB ALA A 199 -5.863 -11.000 0.624 1.00 0.00 C ATOM 0 H ALA A 199 -6.427 -9.822 -1.529 1.00 0.00 H new ATOM 0 HA ALA A 199 -6.758 -9.158 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 199 -5.559 -11.283 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 199 -6.819 -11.467 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 199 -5.110 -11.335 -0.089 1.00 0.00 H new ATOM 444 N PHE A 200 -4.568 -8.179 2.021 1.00 0.00 N ATOM 445 CA PHE A 200 -3.301 -7.480 2.377 1.00 0.00 C ATOM 446 C PHE A 200 -2.147 -8.479 2.375 1.00 0.00 C ATOM 447 O PHE A 200 -1.057 -8.175 1.931 1.00 0.00 O ATOM 448 CB PHE A 200 -3.431 -6.873 3.774 1.00 0.00 C ATOM 449 CG PHE A 200 -2.136 -6.183 4.158 1.00 0.00 C ATOM 450 CD1 PHE A 200 -1.729 -5.026 3.480 1.00 0.00 C ATOM 451 CD2 PHE A 200 -1.347 -6.697 5.201 1.00 0.00 C ATOM 452 CE1 PHE A 200 -0.538 -4.382 3.842 1.00 0.00 C ATOM 453 CE2 PHE A 200 -0.156 -6.054 5.559 1.00 0.00 C ATOM 454 CZ PHE A 200 0.248 -4.896 4.882 1.00 0.00 C ATOM 0 H PHE A 200 -5.301 -8.142 2.729 1.00 0.00 H new ATOM 0 HA PHE A 200 -3.107 -6.693 1.648 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -4.254 -6.159 3.795 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -3.667 -7.652 4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -2.334 -4.630 2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -1.659 -7.588 5.726 1.00 0.00 H new ATOM 0 HE1 PHE A 200 -0.226 -3.490 3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 200 0.452 -6.451 6.358 1.00 0.00 H new ATOM 0 HZ PHE A 200 1.165 -4.399 5.162 1.00 0.00 H new ATOM 464 N ARG A 201 -2.368 -9.659 2.879 1.00 0.00 N ATOM 465 CA ARG A 201 -1.273 -10.667 2.917 1.00 0.00 C ATOM 466 C ARG A 201 -0.871 -11.094 1.502 1.00 0.00 C ATOM 467 O ARG A 201 0.300 -11.243 1.197 1.00 0.00 O ATOM 468 CB ARG A 201 -1.751 -11.899 3.686 1.00 0.00 C ATOM 469 CG ARG A 201 -1.890 -11.553 5.169 1.00 0.00 C ATOM 470 CD ARG A 201 -2.370 -12.780 5.949 1.00 0.00 C ATOM 471 NE ARG A 201 -2.628 -12.386 7.361 1.00 0.00 N ATOM 472 CZ ARG A 201 -3.291 -13.187 8.148 1.00 0.00 C ATOM 473 NH1 ARG A 201 -3.648 -14.370 7.726 1.00 0.00 N ATOM 474 NH2 ARG A 201 -3.595 -12.810 9.360 1.00 0.00 N ATOM 0 H ARG A 201 -3.259 -9.970 3.266 1.00 0.00 H new ATOM 0 HA ARG A 201 -0.409 -10.219 3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 201 -2.708 -12.239 3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 201 -1.043 -12.718 3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 201 -0.932 -11.213 5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 201 -2.596 -10.732 5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 201 -3.278 -13.181 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 201 -1.619 -13.569 5.909 1.00 0.00 H new ATOM 0 HE ARG A 201 -2.287 -11.491 7.712 1.00 0.00 H new ATOM 0 HH11 ARG A 201 -3.408 -14.668 6.780 1.00 0.00 H new ATOM 0 HH12 ARG A 201 -4.167 -14.996 8.342 1.00 0.00 H new ATOM 0 HH21 ARG A 201 -3.314 -11.888 9.693 1.00 0.00 H new ATOM 0 HH22 ARG A 201 -4.114 -13.438 9.974 1.00 0.00 H new ATOM 488 N LYS A 202 -1.825 -11.311 0.639 1.00 0.00 N ATOM 489 CA LYS A 202 -1.488 -11.747 -0.747 1.00 0.00 C ATOM 490 C LYS A 202 -0.991 -10.545 -1.555 1.00 0.00 C ATOM 491 O LYS A 202 -0.079 -10.653 -2.352 1.00 0.00 O ATOM 492 CB LYS A 202 -2.729 -12.369 -1.414 1.00 0.00 C ATOM 493 CG LYS A 202 -2.406 -12.844 -2.844 1.00 0.00 C ATOM 494 CD LYS A 202 -1.380 -13.990 -2.811 1.00 0.00 C ATOM 495 CE LYS A 202 -1.418 -14.754 -4.137 1.00 0.00 C ATOM 496 NZ LYS A 202 -1.109 -13.819 -5.253 1.00 0.00 N ATOM 0 H LYS A 202 -2.821 -11.206 0.832 1.00 0.00 H new ATOM 0 HA LYS A 202 -0.699 -12.498 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -3.083 -13.210 -0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -3.536 -11.637 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -3.318 -13.179 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -2.013 -12.013 -3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -0.380 -13.591 -2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -1.601 -14.665 -1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -0.696 -15.570 -4.120 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -2.401 -15.202 -4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -0.900 -14.363 -6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -1.927 -13.200 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -0.283 -13.239 -5.001 1.00 0.00 H new ATOM 510 N CYS A 203 -1.596 -9.397 -1.368 1.00 0.00 N ATOM 511 CA CYS A 203 -1.168 -8.195 -2.146 1.00 0.00 C ATOM 512 C CYS A 203 0.306 -7.904 -1.877 1.00 0.00 C ATOM 513 O CYS A 203 1.055 -7.579 -2.779 1.00 0.00 O ATOM 514 CB CYS A 203 -2.011 -6.979 -1.731 1.00 0.00 C ATOM 515 SG CYS A 203 -1.321 -5.476 -2.475 1.00 0.00 S ATOM 0 H CYS A 203 -2.363 -9.242 -0.714 1.00 0.00 H new ATOM 0 HA CYS A 203 -1.312 -8.390 -3.209 1.00 0.00 H new ATOM 0 HB2 CYS A 203 -3.044 -7.114 -2.051 1.00 0.00 H new ATOM 0 HB3 CYS A 203 -2.024 -6.886 -0.645 1.00 0.00 H new ATOM 0 HG CYS A 203 -2.037 -4.450 -2.124 1.00 0.00 H new ATOM 521 N TYR A 204 0.734 -8.026 -0.652 1.00 0.00 N ATOM 522 CA TYR A 204 2.166 -7.769 -0.336 1.00 0.00 C ATOM 523 C TYR A 204 3.042 -8.754 -1.122 1.00 0.00 C ATOM 524 O TYR A 204 4.086 -8.406 -1.624 1.00 0.00 O ATOM 525 CB TYR A 204 2.389 -7.950 1.168 1.00 0.00 C ATOM 526 CG TYR A 204 3.723 -7.356 1.565 1.00 0.00 C ATOM 527 CD1 TYR A 204 4.904 -8.043 1.276 1.00 0.00 C ATOM 528 CD2 TYR A 204 3.777 -6.119 2.231 1.00 0.00 C ATOM 529 CE1 TYR A 204 6.137 -7.500 1.644 1.00 0.00 C ATOM 530 CE2 TYR A 204 5.016 -5.580 2.602 1.00 0.00 C ATOM 531 CZ TYR A 204 6.194 -6.273 2.307 1.00 0.00 C ATOM 532 OH TYR A 204 7.413 -5.746 2.671 1.00 0.00 O ATOM 0 H TYR A 204 0.154 -8.292 0.144 1.00 0.00 H new ATOM 0 HA TYR A 204 2.434 -6.751 -0.618 1.00 0.00 H new ATOM 0 HB2 TYR A 204 1.586 -7.467 1.724 1.00 0.00 H new ATOM 0 HB3 TYR A 204 2.362 -9.009 1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 204 4.864 -8.995 0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 204 2.865 -5.585 2.456 1.00 0.00 H new ATOM 0 HE1 TYR A 204 7.049 -8.031 1.415 1.00 0.00 H new ATOM 0 HE2 TYR A 204 5.061 -4.631 3.115 1.00 0.00 H new ATOM 0 HH TYR A 204 7.298 -5.165 3.452 1.00 0.00 H new ATOM 542 N GLU A 205 2.624 -9.990 -1.223 1.00 0.00 N ATOM 543 CA GLU A 205 3.437 -10.995 -1.972 1.00 0.00 C ATOM 544 C GLU A 205 3.597 -10.557 -3.431 1.00 0.00 C ATOM 545 O GLU A 205 4.657 -10.672 -4.013 1.00 0.00 O ATOM 546 CB GLU A 205 2.729 -12.351 -1.931 1.00 0.00 C ATOM 547 CG GLU A 205 2.781 -12.922 -0.517 1.00 0.00 C ATOM 548 CD GLU A 205 4.220 -13.300 -0.173 1.00 0.00 C ATOM 549 OE1 GLU A 205 4.837 -13.988 -0.971 1.00 0.00 O ATOM 550 OE2 GLU A 205 4.684 -12.888 0.876 1.00 0.00 O ATOM 0 H GLU A 205 1.757 -10.346 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 205 4.421 -11.074 -1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 205 1.693 -12.240 -2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 205 3.205 -13.040 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 205 2.406 -12.189 0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 205 2.136 -13.798 -0.443 1.00 0.00 H new ATOM 557 N ARG A 206 2.561 -10.047 -4.032 1.00 0.00 N ATOM 558 CA ARG A 206 2.683 -9.603 -5.447 1.00 0.00 C ATOM 559 C ARG A 206 3.746 -8.508 -5.513 1.00 0.00 C ATOM 560 O ARG A 206 4.551 -8.455 -6.420 1.00 0.00 O ATOM 561 CB ARG A 206 1.343 -9.048 -5.933 1.00 0.00 C ATOM 562 CG ARG A 206 1.431 -8.765 -7.435 1.00 0.00 C ATOM 563 CD ARG A 206 0.093 -8.210 -7.929 1.00 0.00 C ATOM 564 NE ARG A 206 0.145 -8.043 -9.418 1.00 0.00 N ATOM 565 CZ ARG A 206 1.017 -7.257 -9.984 1.00 0.00 C ATOM 566 NH1 ARG A 206 1.745 -6.442 -9.266 1.00 0.00 N ATOM 567 NH2 ARG A 206 1.129 -7.251 -11.280 1.00 0.00 N ATOM 0 H ARG A 206 1.642 -9.919 -3.609 1.00 0.00 H new ATOM 0 HA ARG A 206 2.965 -10.443 -6.082 1.00 0.00 H new ATOM 0 HB2 ARG A 206 0.545 -9.763 -5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 206 1.097 -8.134 -5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 206 2.229 -8.050 -7.635 1.00 0.00 H new ATOM 0 HG3 ARG A 206 1.679 -9.679 -7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 206 -0.717 -8.886 -7.655 1.00 0.00 H new ATOM 0 HD3 ARG A 206 -0.115 -7.253 -7.451 1.00 0.00 H new ATOM 0 HE ARG A 206 -0.517 -8.556 -10.001 1.00 0.00 H new ATOM 0 HH11 ARG A 206 1.633 -6.417 -8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 206 2.424 -5.831 -9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 206 0.537 -7.859 -11.846 1.00 0.00 H new ATOM 0 HH22 ARG A 206 1.809 -6.639 -11.730 1.00 0.00 H new ATOM 581 N LEU A 207 3.747 -7.646 -4.538 1.00 0.00 N ATOM 582 CA LEU A 207 4.741 -6.541 -4.499 1.00 0.00 C ATOM 583 C LEU A 207 6.152 -7.132 -4.467 1.00 0.00 C ATOM 584 O LEU A 207 7.071 -6.591 -5.051 1.00 0.00 O ATOM 585 CB LEU A 207 4.507 -5.681 -3.253 1.00 0.00 C ATOM 586 CG LEU A 207 5.505 -4.515 -3.226 1.00 0.00 C ATOM 587 CD1 LEU A 207 5.274 -3.585 -4.432 1.00 0.00 C ATOM 588 CD2 LEU A 207 5.324 -3.738 -1.920 1.00 0.00 C ATOM 0 H LEU A 207 3.092 -7.660 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 207 4.630 -5.917 -5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 207 3.487 -5.297 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 207 4.620 -6.288 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 207 6.521 -4.904 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 207 5.989 -2.763 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 207 5.409 -4.147 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 207 4.260 -3.186 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 207 6.029 -2.907 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 207 4.306 -3.353 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 207 5.508 -4.400 -1.074 1.00 0.00 H new ATOM 600 N GLU A 208 6.344 -8.231 -3.791 1.00 0.00 N ATOM 601 CA GLU A 208 7.707 -8.824 -3.742 1.00 0.00 C ATOM 602 C GLU A 208 8.151 -9.156 -5.172 1.00 0.00 C ATOM 603 O GLU A 208 9.284 -8.927 -5.539 1.00 0.00 O ATOM 604 CB GLU A 208 7.668 -10.098 -2.893 1.00 0.00 C ATOM 605 CG GLU A 208 7.475 -9.730 -1.411 1.00 0.00 C ATOM 606 CD GLU A 208 8.833 -9.451 -0.760 1.00 0.00 C ATOM 607 OE1 GLU A 208 9.663 -8.834 -1.408 1.00 0.00 O ATOM 608 OE2 GLU A 208 9.016 -9.853 0.376 1.00 0.00 O ATOM 0 H GLU A 208 5.624 -8.738 -3.276 1.00 0.00 H new ATOM 0 HA GLU A 208 8.412 -8.122 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 208 6.855 -10.743 -3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 208 8.593 -10.660 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 208 6.834 -8.852 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.972 -10.543 -0.888 1.00 0.00 H new ATOM 615 N LEU A 209 7.266 -9.662 -5.991 1.00 0.00 N ATOM 616 CA LEU A 209 7.659 -9.953 -7.398 1.00 0.00 C ATOM 617 C LEU A 209 8.083 -8.638 -8.064 1.00 0.00 C ATOM 618 O LEU A 209 9.099 -8.557 -8.725 1.00 0.00 O ATOM 619 CB LEU A 209 6.466 -10.550 -8.154 1.00 0.00 C ATOM 620 CG LEU A 209 6.369 -12.061 -7.891 1.00 0.00 C ATOM 621 CD1 LEU A 209 7.520 -12.821 -8.589 1.00 0.00 C ATOM 622 CD2 LEU A 209 6.414 -12.325 -6.380 1.00 0.00 C ATOM 0 H LEU A 209 6.300 -9.883 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 209 8.483 -10.667 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 209 5.545 -10.059 -7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 209 6.575 -10.366 -9.223 1.00 0.00 H new ATOM 0 HG LEU A 209 5.425 -12.421 -8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 209 7.427 -13.888 -8.386 1.00 0.00 H new ATOM 0 HD12 LEU A 209 7.469 -12.650 -9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 209 8.476 -12.462 -8.209 1.00 0.00 H new ATOM 0 HD21 LEU A 209 6.345 -13.397 -6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 209 7.351 -11.946 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 209 5.578 -11.819 -5.897 1.00 0.00 H new ATOM 634 N ALA A 210 7.304 -7.604 -7.891 1.00 0.00 N ATOM 635 CA ALA A 210 7.649 -6.291 -8.509 1.00 0.00 C ATOM 636 C ALA A 210 8.972 -5.791 -7.926 1.00 0.00 C ATOM 637 O ALA A 210 9.826 -5.284 -8.623 1.00 0.00 O ATOM 638 CB ALA A 210 6.528 -5.293 -8.202 1.00 0.00 C ATOM 0 H ALA A 210 6.441 -7.612 -7.347 1.00 0.00 H new ATOM 0 HA ALA A 210 7.755 -6.397 -9.589 1.00 0.00 H new ATOM 0 HB1 ALA A 210 6.768 -4.328 -8.648 1.00 0.00 H new ATOM 0 HB2 ALA A 210 5.589 -5.661 -8.616 1.00 0.00 H new ATOM 0 HB3 ALA A 210 6.428 -5.179 -7.123 1.00 0.00 H new ATOM 644 N ALA A 211 9.142 -5.945 -6.643 1.00 0.00 N ATOM 645 CA ALA A 211 10.400 -5.505 -5.988 1.00 0.00 C ATOM 646 C ALA A 211 11.589 -6.248 -6.593 1.00 0.00 C ATOM 647 O ALA A 211 12.639 -5.683 -6.803 1.00 0.00 O ATOM 648 CB ALA A 211 10.312 -5.777 -4.486 1.00 0.00 C ATOM 0 H ALA A 211 8.454 -6.362 -6.015 1.00 0.00 H new ATOM 0 HA ALA A 211 10.540 -4.436 -6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 211 11.235 -5.455 -4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 211 9.471 -5.226 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 211 10.168 -6.844 -4.317 1.00 0.00 H new ATOM 654 N ARG A 212 11.452 -7.511 -6.870 1.00 0.00 N ATOM 655 CA ARG A 212 12.605 -8.240 -7.455 1.00 0.00 C ATOM 656 C ARG A 212 12.861 -7.733 -8.870 1.00 0.00 C ATOM 657 O ARG A 212 13.991 -7.565 -9.286 1.00 0.00 O ATOM 658 CB ARG A 212 12.291 -9.733 -7.508 1.00 0.00 C ATOM 659 CG ARG A 212 12.269 -10.302 -6.093 1.00 0.00 C ATOM 660 CD ARG A 212 11.937 -11.794 -6.158 1.00 0.00 C ATOM 661 NE ARG A 212 13.032 -12.510 -6.869 1.00 0.00 N ATOM 662 CZ ARG A 212 13.102 -13.812 -6.822 1.00 0.00 C ATOM 663 NH1 ARG A 212 12.202 -14.494 -6.170 1.00 0.00 N ATOM 664 NH2 ARG A 212 14.072 -14.434 -7.430 1.00 0.00 N ATOM 0 H ARG A 212 10.607 -8.062 -6.720 1.00 0.00 H new ATOM 0 HA ARG A 212 13.488 -8.073 -6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 212 11.327 -9.895 -7.991 1.00 0.00 H new ATOM 0 HB3 ARG A 212 13.039 -10.251 -8.108 1.00 0.00 H new ATOM 0 HG2 ARG A 212 13.236 -10.153 -5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 212 11.529 -9.778 -5.489 1.00 0.00 H new ATOM 0 HD2 ARG A 212 11.817 -12.196 -5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 212 10.990 -11.946 -6.677 1.00 0.00 H new ATOM 0 HE ARG A 212 13.729 -11.981 -7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 212 11.440 -14.010 -5.695 1.00 0.00 H new ATOM 0 HH12 ARG A 212 12.260 -15.512 -6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 212 14.776 -13.903 -7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 212 14.127 -15.452 -7.394 1.00 0.00 H new ATOM 678 N GLU A 213 11.822 -7.486 -9.612 1.00 0.00 N ATOM 679 CA GLU A 213 12.002 -6.998 -11.002 1.00 0.00 C ATOM 680 C GLU A 213 12.670 -5.617 -10.995 1.00 0.00 C ATOM 681 O GLU A 213 13.550 -5.339 -11.785 1.00 0.00 O ATOM 682 CB GLU A 213 10.630 -6.890 -11.665 1.00 0.00 C ATOM 683 CG GLU A 213 10.044 -8.292 -11.857 1.00 0.00 C ATOM 684 CD GLU A 213 10.832 -9.035 -12.937 1.00 0.00 C ATOM 685 OE1 GLU A 213 11.432 -8.373 -13.767 1.00 0.00 O ATOM 686 OE2 GLU A 213 10.817 -10.255 -12.920 1.00 0.00 O ATOM 0 H GLU A 213 10.853 -7.602 -9.314 1.00 0.00 H new ATOM 0 HA GLU A 213 12.635 -7.694 -11.552 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.963 -6.287 -11.049 1.00 0.00 H new ATOM 0 HB3 GLU A 213 10.718 -6.386 -12.627 1.00 0.00 H new ATOM 0 HG2 GLU A 213 10.084 -8.845 -10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 213 8.994 -8.222 -12.142 1.00 0.00 H new ATOM 693 N HIS A 214 12.253 -4.747 -10.109 1.00 0.00 N ATOM 694 CA HIS A 214 12.852 -3.378 -10.048 1.00 0.00 C ATOM 695 C HIS A 214 13.990 -3.345 -9.024 1.00 0.00 C ATOM 696 O HIS A 214 14.798 -2.440 -9.012 1.00 0.00 O ATOM 697 CB HIS A 214 11.766 -2.371 -9.649 1.00 0.00 C ATOM 698 CG HIS A 214 10.798 -2.185 -10.789 1.00 0.00 C ATOM 699 ND1 HIS A 214 11.079 -1.375 -11.880 1.00 0.00 N ATOM 700 CD2 HIS A 214 9.546 -2.697 -11.018 1.00 0.00 C ATOM 701 CE1 HIS A 214 10.019 -1.426 -12.707 1.00 0.00 C ATOM 702 NE2 HIS A 214 9.057 -2.219 -12.228 1.00 0.00 N ATOM 0 H HIS A 214 11.520 -4.927 -9.422 1.00 0.00 H new ATOM 0 HA HIS A 214 13.255 -3.117 -11.027 1.00 0.00 H new ATOM 0 HB2 HIS A 214 11.236 -2.725 -8.764 1.00 0.00 H new ATOM 0 HB3 HIS A 214 12.221 -1.416 -9.387 1.00 0.00 H new ATOM 0 HD2 HIS A 214 9.020 -3.370 -10.358 1.00 0.00 H new ATOM 0 HE1 HIS A 214 9.954 -0.891 -13.643 1.00 0.00 H new ATOM 0 HE2 HIS A 214 8.156 -2.429 -12.658 1.00 0.00 H new ATOM 710 N GLY A 215 14.056 -4.320 -8.163 1.00 0.00 N ATOM 711 CA GLY A 215 15.135 -4.336 -7.135 1.00 0.00 C ATOM 712 C GLY A 215 14.804 -3.326 -6.033 1.00 0.00 C ATOM 713 O GLY A 215 15.684 -2.742 -5.431 1.00 0.00 O ATOM 0 H GLY A 215 13.409 -5.108 -8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 215 15.233 -5.335 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 215 16.093 -4.090 -7.593 1.00 0.00 H new ATOM 717 N TRP A 216 13.540 -3.105 -5.767 1.00 0.00 N ATOM 718 CA TRP A 216 13.161 -2.121 -4.704 1.00 0.00 C ATOM 719 C TRP A 216 13.369 -2.719 -3.318 1.00 0.00 C ATOM 720 O TRP A 216 13.090 -3.877 -3.076 1.00 0.00 O ATOM 721 CB TRP A 216 11.676 -1.755 -4.796 1.00 0.00 C ATOM 722 CG TRP A 216 11.355 -1.022 -6.052 1.00 0.00 C ATOM 723 CD1 TRP A 216 12.098 -0.036 -6.615 1.00 0.00 C ATOM 724 CD2 TRP A 216 10.183 -1.188 -6.892 1.00 0.00 C ATOM 725 NE1 TRP A 216 11.463 0.393 -7.764 1.00 0.00 N ATOM 726 CE2 TRP A 216 10.272 -0.284 -7.975 1.00 0.00 C ATOM 727 CE3 TRP A 216 9.060 -2.038 -6.818 1.00 0.00 C ATOM 728 CZ2 TRP A 216 9.277 -0.227 -8.956 1.00 0.00 C ATOM 729 CZ3 TRP A 216 8.060 -1.978 -7.800 1.00 0.00 C ATOM 730 CH2 TRP A 216 8.169 -1.075 -8.865 1.00 0.00 C ATOM 0 H TRP A 216 12.757 -3.560 -6.237 1.00 0.00 H new ATOM 0 HA TRP A 216 13.789 -1.243 -4.855 1.00 0.00 H new ATOM 0 HB2 TRP A 216 11.076 -2.663 -4.744 1.00 0.00 H new ATOM 0 HB3 TRP A 216 11.401 -1.141 -3.938 1.00 0.00 H new ATOM 0 HD1 TRP A 216 13.030 0.349 -6.229 1.00 0.00 H new ATOM 0 HE1 TRP A 216 11.826 1.119 -8.382 1.00 0.00 H new ATOM 0 HE3 TRP A 216 8.969 -2.739 -6.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 9.364 0.467 -9.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 7.202 -2.631 -7.734 1.00 0.00 H new ATOM 0 HH2 TRP A 216 7.396 -1.034 -9.618 1.00 0.00 H new ATOM 741 N SER A 217 13.795 -1.909 -2.389 1.00 0.00 N ATOM 742 CA SER A 217 13.953 -2.389 -0.991 1.00 0.00 C ATOM 743 C SER A 217 12.633 -2.106 -0.283 1.00 0.00 C ATOM 744 O SER A 217 12.279 -0.963 -0.069 1.00 0.00 O ATOM 745 CB SER A 217 15.072 -1.615 -0.293 1.00 0.00 C ATOM 746 OG SER A 217 16.288 -1.790 -1.009 1.00 0.00 O ATOM 0 H SER A 217 14.041 -0.931 -2.540 1.00 0.00 H new ATOM 0 HA SER A 217 14.204 -3.449 -0.971 1.00 0.00 H new ATOM 0 HB2 SER A 217 14.818 -0.556 -0.240 1.00 0.00 H new ATOM 0 HB3 SER A 217 15.187 -1.967 0.732 1.00 0.00 H new ATOM 0 HG SER A 217 17.005 -1.293 -0.563 1.00 0.00 H new ATOM 752 N ILE A 218 11.882 -3.117 0.059 1.00 0.00 N ATOM 753 CA ILE A 218 10.568 -2.869 0.726 1.00 0.00 C ATOM 754 C ILE A 218 10.740 -2.939 2.251 1.00 0.00 C ATOM 755 O ILE A 218 11.565 -3.682 2.744 1.00 0.00 O ATOM 756 CB ILE A 218 9.557 -3.939 0.270 1.00 0.00 C ATOM 757 CG1 ILE A 218 9.890 -5.302 0.913 1.00 0.00 C ATOM 758 CG2 ILE A 218 9.619 -4.064 -1.253 1.00 0.00 C ATOM 759 CD1 ILE A 218 9.074 -6.415 0.240 1.00 0.00 C ATOM 0 H ILE A 218 12.117 -4.098 -0.092 1.00 0.00 H new ATOM 0 HA ILE A 218 10.202 -1.879 0.452 1.00 0.00 H new ATOM 0 HB ILE A 218 8.555 -3.642 0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 218 10.955 -5.510 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 218 9.670 -5.273 1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 218 8.907 -4.819 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 218 9.370 -3.105 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 218 10.625 -4.357 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 218 9.316 -7.373 0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 218 8.010 -6.212 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 218 9.316 -6.452 -0.822 1.00 0.00 H new ATOM 771 N PRO A 219 9.955 -2.190 2.999 1.00 0.00 N ATOM 772 CA PRO A 219 10.022 -2.206 4.488 1.00 0.00 C ATOM 773 C PRO A 219 9.415 -3.501 5.047 1.00 0.00 C ATOM 774 O PRO A 219 8.791 -4.258 4.328 1.00 0.00 O ATOM 775 CB PRO A 219 9.182 -0.983 4.900 1.00 0.00 C ATOM 776 CG PRO A 219 8.201 -0.805 3.787 1.00 0.00 C ATOM 777 CD PRO A 219 8.927 -1.245 2.514 1.00 0.00 C ATOM 0 HA PRO A 219 11.043 -2.166 4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 219 8.676 -1.152 5.851 1.00 0.00 H new ATOM 0 HB3 PRO A 219 9.806 -0.098 5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 219 7.307 -1.406 3.954 1.00 0.00 H new ATOM 0 HG3 PRO A 219 7.878 0.233 3.713 1.00 0.00 H new ATOM 0 HD2 PRO A 219 8.245 -1.723 1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 219 9.376 -0.397 1.997 1.00 0.00 H new ATOM 785 N SER A 220 9.580 -3.756 6.316 1.00 0.00 N ATOM 786 CA SER A 220 8.995 -4.993 6.907 1.00 0.00 C ATOM 787 C SER A 220 7.472 -4.955 6.746 1.00 0.00 C ATOM 788 O SER A 220 6.857 -3.909 6.799 1.00 0.00 O ATOM 789 CB SER A 220 9.360 -5.073 8.395 1.00 0.00 C ATOM 790 OG SER A 220 8.755 -3.988 9.095 1.00 0.00 O ATOM 0 H SER A 220 10.093 -3.163 6.968 1.00 0.00 H new ATOM 0 HA SER A 220 9.392 -5.870 6.395 1.00 0.00 H new ATOM 0 HB2 SER A 220 9.022 -6.022 8.812 1.00 0.00 H new ATOM 0 HB3 SER A 220 10.443 -5.039 8.517 1.00 0.00 H new ATOM 0 HG SER A 220 9.189 -3.149 8.835 1.00 0.00 H new ATOM 796 N ARG A 221 6.868 -6.095 6.534 1.00 0.00 N ATOM 797 CA ARG A 221 5.388 -6.145 6.344 1.00 0.00 C ATOM 798 C ARG A 221 4.696 -5.463 7.525 1.00 0.00 C ATOM 799 O ARG A 221 3.729 -4.751 7.359 1.00 0.00 O ATOM 800 CB ARG A 221 4.937 -7.606 6.297 1.00 0.00 C ATOM 801 CG ARG A 221 5.657 -8.337 5.163 1.00 0.00 C ATOM 802 CD ARG A 221 5.173 -9.804 5.089 1.00 0.00 C ATOM 803 NE ARG A 221 6.348 -10.723 4.954 1.00 0.00 N ATOM 804 CZ ARG A 221 7.302 -10.474 4.099 1.00 0.00 C ATOM 805 NH1 ARG A 221 7.183 -9.499 3.250 1.00 0.00 N ATOM 806 NH2 ARG A 221 8.362 -11.231 4.067 1.00 0.00 N ATOM 0 H ARG A 221 7.339 -6.998 6.484 1.00 0.00 H new ATOM 0 HA ARG A 221 5.127 -5.637 5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 221 5.151 -8.093 7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 221 3.859 -7.658 6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 221 5.465 -7.834 4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 221 6.734 -8.308 5.327 1.00 0.00 H new ATOM 0 HD2 ARG A 221 4.606 -10.054 5.985 1.00 0.00 H new ATOM 0 HD3 ARG A 221 4.501 -9.932 4.240 1.00 0.00 H new ATOM 0 HE ARG A 221 6.403 -11.556 5.539 1.00 0.00 H new ATOM 0 HH11 ARG A 221 6.341 -8.923 3.249 1.00 0.00 H new ATOM 0 HH12 ARG A 221 7.932 -9.309 2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 221 8.446 -12.018 4.710 1.00 0.00 H new ATOM 0 HH22 ARG A 221 9.108 -11.036 3.399 1.00 0.00 H new ATOM 820 N ALA A 222 5.181 -5.672 8.714 1.00 0.00 N ATOM 821 CA ALA A 222 4.544 -5.026 9.894 1.00 0.00 C ATOM 822 C ALA A 222 4.665 -3.502 9.781 1.00 0.00 C ATOM 823 O ALA A 222 3.746 -2.770 10.093 1.00 0.00 O ATOM 824 CB ALA A 222 5.257 -5.493 11.160 1.00 0.00 C ATOM 0 H ALA A 222 5.988 -6.260 8.921 1.00 0.00 H new ATOM 0 HA ALA A 222 3.490 -5.301 9.934 1.00 0.00 H new ATOM 0 HB1 ALA A 222 4.797 -5.025 12.030 1.00 0.00 H new ATOM 0 HB2 ALA A 222 5.175 -6.577 11.245 1.00 0.00 H new ATOM 0 HB3 ALA A 222 6.309 -5.212 11.110 1.00 0.00 H new ATOM 830 N THR A 223 5.799 -3.021 9.346 1.00 0.00 N ATOM 831 CA THR A 223 5.998 -1.546 9.226 1.00 0.00 C ATOM 832 C THR A 223 5.017 -0.948 8.216 1.00 0.00 C ATOM 833 O THR A 223 4.485 0.131 8.417 1.00 0.00 O ATOM 834 CB THR A 223 7.434 -1.263 8.770 1.00 0.00 C ATOM 835 OG1 THR A 223 8.340 -1.739 9.758 1.00 0.00 O ATOM 836 CG2 THR A 223 7.618 0.245 8.562 1.00 0.00 C ATOM 0 H THR A 223 6.600 -3.588 9.067 1.00 0.00 H new ATOM 0 HA THR A 223 5.818 -1.089 10.199 1.00 0.00 H new ATOM 0 HB THR A 223 7.632 -1.774 7.828 1.00 0.00 H new ATOM 0 HG1 THR A 223 8.169 -2.689 9.928 1.00 0.00 H new ATOM 0 HG21 THR A 223 8.639 0.446 8.238 1.00 0.00 H new ATOM 0 HG22 THR A 223 6.920 0.595 7.801 1.00 0.00 H new ATOM 0 HG23 THR A 223 7.425 0.768 9.499 1.00 0.00 H new ATOM 844 N ALA A 224 4.782 -1.621 7.127 1.00 0.00 N ATOM 845 CA ALA A 224 3.847 -1.073 6.103 1.00 0.00 C ATOM 846 C ALA A 224 2.454 -0.880 6.710 1.00 0.00 C ATOM 847 O ALA A 224 1.875 0.179 6.615 1.00 0.00 O ATOM 848 CB ALA A 224 3.759 -2.051 4.926 1.00 0.00 C ATOM 0 H ALA A 224 5.195 -2.526 6.900 1.00 0.00 H new ATOM 0 HA ALA A 224 4.219 -0.109 5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.076 -1.655 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 224 4.748 -2.181 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 224 3.390 -3.014 5.280 1.00 0.00 H new ATOM 854 N PHE A 225 1.910 -1.889 7.333 1.00 0.00 N ATOM 855 CA PHE A 225 0.554 -1.747 7.935 1.00 0.00 C ATOM 856 C PHE A 225 0.536 -0.636 8.982 1.00 0.00 C ATOM 857 O PHE A 225 -0.418 0.106 9.084 1.00 0.00 O ATOM 858 CB PHE A 225 0.122 -3.069 8.575 1.00 0.00 C ATOM 859 CG PHE A 225 -1.202 -2.878 9.291 1.00 0.00 C ATOM 860 CD1 PHE A 225 -2.344 -2.500 8.571 1.00 0.00 C ATOM 861 CD2 PHE A 225 -1.292 -3.092 10.675 1.00 0.00 C ATOM 862 CE1 PHE A 225 -3.566 -2.338 9.232 1.00 0.00 C ATOM 863 CE2 PHE A 225 -2.517 -2.928 11.333 1.00 0.00 C ATOM 864 CZ PHE A 225 -3.653 -2.553 10.612 1.00 0.00 C ATOM 0 H PHE A 225 2.345 -2.804 7.451 1.00 0.00 H new ATOM 0 HA PHE A 225 -0.145 -1.485 7.141 1.00 0.00 H new ATOM 0 HB2 PHE A 225 0.026 -3.840 7.811 1.00 0.00 H new ATOM 0 HB3 PHE A 225 0.882 -3.410 9.278 1.00 0.00 H new ATOM 0 HD1 PHE A 225 -2.280 -2.334 7.506 1.00 0.00 H new ATOM 0 HD2 PHE A 225 -0.415 -3.384 11.234 1.00 0.00 H new ATOM 0 HE1 PHE A 225 -4.445 -2.046 8.676 1.00 0.00 H new ATOM 0 HE2 PHE A 225 -2.584 -3.092 12.398 1.00 0.00 H new ATOM 0 HZ PHE A 225 -4.598 -2.429 11.119 1.00 0.00 H new ATOM 874 N ARG A 226 1.565 -0.522 9.776 1.00 0.00 N ATOM 875 CA ARG A 226 1.565 0.533 10.829 1.00 0.00 C ATOM 876 C ARG A 226 1.436 1.896 10.161 1.00 0.00 C ATOM 877 O ARG A 226 0.721 2.761 10.626 1.00 0.00 O ATOM 878 CB ARG A 226 2.895 0.476 11.603 1.00 0.00 C ATOM 879 CG ARG A 226 2.956 -0.799 12.459 1.00 0.00 C ATOM 880 CD ARG A 226 2.231 -0.585 13.790 1.00 0.00 C ATOM 881 NE ARG A 226 3.054 0.287 14.669 1.00 0.00 N ATOM 882 CZ ARG A 226 2.507 0.848 15.708 1.00 0.00 C ATOM 883 NH1 ARG A 226 1.258 0.590 15.997 1.00 0.00 N ATOM 884 NH2 ARG A 226 3.201 1.662 16.452 1.00 0.00 N ATOM 0 H ARG A 226 2.399 -1.108 9.742 1.00 0.00 H new ATOM 0 HA ARG A 226 0.733 0.373 11.515 1.00 0.00 H new ATOM 0 HB2 ARG A 226 3.732 0.494 10.905 1.00 0.00 H new ATOM 0 HB3 ARG A 226 2.992 1.355 12.240 1.00 0.00 H new ATOM 0 HG2 ARG A 226 2.500 -1.629 11.919 1.00 0.00 H new ATOM 0 HG3 ARG A 226 3.995 -1.071 12.644 1.00 0.00 H new ATOM 0 HD2 ARG A 226 1.257 -0.128 13.616 1.00 0.00 H new ATOM 0 HD3 ARG A 226 2.051 -1.544 14.277 1.00 0.00 H new ATOM 0 HE ARG A 226 4.040 0.444 14.459 1.00 0.00 H new ATOM 0 HH11 ARG A 226 0.720 -0.047 15.410 1.00 0.00 H new ATOM 0 HH12 ARG A 226 0.822 1.026 16.810 1.00 0.00 H new ATOM 0 HH21 ARG A 226 4.174 1.860 16.220 1.00 0.00 H new ATOM 0 HH22 ARG A 226 2.771 2.101 17.266 1.00 0.00 H new ATOM 898 N ARG A 227 2.099 2.088 9.057 1.00 0.00 N ATOM 899 CA ARG A 227 1.991 3.389 8.343 1.00 0.00 C ATOM 900 C ARG A 227 0.594 3.512 7.734 1.00 0.00 C ATOM 901 O ARG A 227 0.025 4.586 7.684 1.00 0.00 O ATOM 902 CB ARG A 227 3.040 3.479 7.227 1.00 0.00 C ATOM 903 CG ARG A 227 4.461 3.383 7.808 1.00 0.00 C ATOM 904 CD ARG A 227 4.846 4.703 8.486 1.00 0.00 C ATOM 905 NE ARG A 227 6.301 4.683 8.818 1.00 0.00 N ATOM 906 CZ ARG A 227 6.898 5.776 9.205 1.00 0.00 C ATOM 907 NH1 ARG A 227 6.221 6.882 9.331 1.00 0.00 N ATOM 908 NH2 ARG A 227 8.169 5.759 9.478 1.00 0.00 N ATOM 0 H ARG A 227 2.711 1.400 8.618 1.00 0.00 H new ATOM 0 HA ARG A 227 2.164 4.198 9.053 1.00 0.00 H new ATOM 0 HB2 ARG A 227 2.881 2.677 6.506 1.00 0.00 H new ATOM 0 HB3 ARG A 227 2.925 4.419 6.688 1.00 0.00 H new ATOM 0 HG2 ARG A 227 4.513 2.567 8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 227 5.172 3.153 7.014 1.00 0.00 H new ATOM 0 HD2 ARG A 227 4.624 5.542 7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 227 4.257 4.845 9.392 1.00 0.00 H new ATOM 0 HE ARG A 227 6.829 3.814 8.742 1.00 0.00 H new ATOM 0 HH11 ARG A 227 5.222 6.894 9.127 1.00 0.00 H new ATOM 0 HH12 ARG A 227 6.690 7.736 9.634 1.00 0.00 H new ATOM 0 HH21 ARG A 227 8.698 4.891 9.389 1.00 0.00 H new ATOM 0 HH22 ARG A 227 8.637 6.613 9.781 1.00 0.00 H new ATOM 922 N ILE A 228 0.047 2.426 7.250 1.00 0.00 N ATOM 923 CA ILE A 228 -1.303 2.479 6.618 1.00 0.00 C ATOM 924 C ILE A 228 -2.348 2.968 7.630 1.00 0.00 C ATOM 925 O ILE A 228 -3.193 3.785 7.312 1.00 0.00 O ATOM 926 CB ILE A 228 -1.687 1.074 6.135 1.00 0.00 C ATOM 927 CG1 ILE A 228 -0.702 0.598 5.037 1.00 0.00 C ATOM 928 CG2 ILE A 228 -3.112 1.096 5.585 1.00 0.00 C ATOM 929 CD1 ILE A 228 -1.184 0.990 3.632 1.00 0.00 C ATOM 0 H ILE A 228 0.480 1.503 7.266 1.00 0.00 H new ATOM 0 HA ILE A 228 -1.274 3.171 5.777 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.635 0.380 6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.282 1.031 5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.589 -0.485 5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.385 0.098 5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.800 1.411 6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -3.169 1.795 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -0.467 0.639 2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -2.156 0.535 3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -1.272 2.075 3.567 1.00 0.00 H new ATOM 941 N GLN A 229 -2.308 2.477 8.838 1.00 0.00 N ATOM 942 CA GLN A 229 -3.307 2.916 9.856 1.00 0.00 C ATOM 943 C GLN A 229 -3.018 4.359 10.277 1.00 0.00 C ATOM 944 O GLN A 229 -3.869 5.036 10.819 1.00 0.00 O ATOM 945 CB GLN A 229 -3.261 1.981 11.063 1.00 0.00 C ATOM 946 CG GLN A 229 -1.836 1.875 11.576 1.00 0.00 C ATOM 947 CD GLN A 229 -1.830 0.996 12.823 1.00 0.00 C ATOM 948 OE1 GLN A 229 -2.562 0.027 12.900 1.00 0.00 O ATOM 949 NE2 GLN A 229 -1.033 1.294 13.811 1.00 0.00 N ATOM 0 H GLN A 229 -1.628 1.791 9.165 1.00 0.00 H new ATOM 0 HA GLN A 229 -4.307 2.875 9.425 1.00 0.00 H new ATOM 0 HB2 GLN A 229 -3.914 2.357 11.851 1.00 0.00 H new ATOM 0 HB3 GLN A 229 -3.632 0.994 10.785 1.00 0.00 H new ATOM 0 HG2 GLN A 229 -1.189 1.448 10.810 1.00 0.00 H new ATOM 0 HG3 GLN A 229 -1.444 2.865 11.809 1.00 0.00 H new ATOM 0 HE21 GLN A 229 -0.420 2.107 13.745 1.00 0.00 H new ATOM 0 HE22 GLN A 229 -1.022 0.714 14.650 1.00 0.00 H new ATOM 958 N GLN A 230 -1.829 4.852 10.018 1.00 0.00 N ATOM 959 CA GLN A 230 -1.517 6.266 10.391 1.00 0.00 C ATOM 960 C GLN A 230 -2.107 7.193 9.325 1.00 0.00 C ATOM 961 O GLN A 230 -2.132 8.400 9.474 1.00 0.00 O ATOM 962 CB GLN A 230 0.000 6.487 10.488 1.00 0.00 C ATOM 963 CG GLN A 230 0.545 5.765 11.726 1.00 0.00 C ATOM 964 CD GLN A 230 0.045 6.452 13.006 1.00 0.00 C ATOM 965 OE1 GLN A 230 -0.569 5.824 13.844 1.00 0.00 O ATOM 966 NE2 GLN A 230 0.295 7.716 13.198 1.00 0.00 N ATOM 0 H GLN A 230 -1.069 4.341 9.569 1.00 0.00 H new ATOM 0 HA GLN A 230 -1.952 6.483 11.367 1.00 0.00 H new ATOM 0 HB2 GLN A 230 0.491 6.112 9.590 1.00 0.00 H new ATOM 0 HB3 GLN A 230 0.220 7.553 10.550 1.00 0.00 H new ATOM 0 HG2 GLN A 230 0.227 4.722 11.717 1.00 0.00 H new ATOM 0 HG3 GLN A 230 1.635 5.766 11.706 1.00 0.00 H new ATOM 0 HE21 GLN A 230 0.811 8.246 12.496 1.00 0.00 H new ATOM 0 HE22 GLN A 230 -0.025 8.175 14.051 1.00 0.00 H new ATOM 975 N LEU A 231 -2.586 6.627 8.250 1.00 0.00 N ATOM 976 CA LEU A 231 -3.181 7.453 7.168 1.00 0.00 C ATOM 977 C LEU A 231 -4.501 8.054 7.657 1.00 0.00 C ATOM 978 O LEU A 231 -4.945 9.046 7.127 1.00 0.00 O ATOM 979 CB LEU A 231 -3.440 6.577 5.944 1.00 0.00 C ATOM 980 CG LEU A 231 -2.121 5.981 5.432 1.00 0.00 C ATOM 981 CD1 LEU A 231 -2.422 5.023 4.278 1.00 0.00 C ATOM 982 CD2 LEU A 231 -1.185 7.091 4.930 1.00 0.00 C ATOM 0 H LEU A 231 -2.589 5.622 8.077 1.00 0.00 H new ATOM 0 HA LEU A 231 -2.494 8.255 6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -4.134 5.777 6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -3.911 7.167 5.158 1.00 0.00 H new ATOM 0 HG LEU A 231 -1.633 5.451 6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -1.490 4.595 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -3.074 4.224 4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -2.916 5.567 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 231 -0.256 6.649 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -1.667 7.633 4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -0.968 7.780 5.746 1.00 0.00 H new ATOM 994 N ASP A 232 -5.101 7.445 8.670 1.00 0.00 N ATOM 995 CA ASP A 232 -6.397 7.932 9.279 1.00 0.00 C ATOM 996 C ASP A 232 -7.553 6.998 8.909 1.00 0.00 C ATOM 997 O ASP A 232 -7.559 6.367 7.869 1.00 0.00 O ATOM 998 CB ASP A 232 -6.752 9.369 8.856 1.00 0.00 C ATOM 999 CG ASP A 232 -7.856 9.900 9.773 1.00 0.00 C ATOM 1000 OD1 ASP A 232 -8.252 9.175 10.672 1.00 0.00 O ATOM 1001 OD2 ASP A 232 -8.274 11.030 9.574 1.00 0.00 O ATOM 0 H ASP A 232 -4.732 6.603 9.112 1.00 0.00 H new ATOM 0 HA ASP A 232 -6.246 7.930 10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 232 -5.871 10.008 8.918 1.00 0.00 H new ATOM 0 HB3 ASP A 232 -7.085 9.385 7.818 1.00 0.00 H new ATOM 1006 N GLU A 233 -8.537 6.914 9.768 1.00 0.00 N ATOM 1007 CA GLU A 233 -9.708 6.031 9.507 1.00 0.00 C ATOM 1008 C GLU A 233 -10.388 6.466 8.216 1.00 0.00 C ATOM 1009 O GLU A 233 -10.974 5.670 7.512 1.00 0.00 O ATOM 1010 CB GLU A 233 -10.692 6.136 10.673 1.00 0.00 C ATOM 1011 CG GLU A 233 -11.839 5.148 10.461 1.00 0.00 C ATOM 1012 CD GLU A 233 -12.727 5.115 11.708 1.00 0.00 C ATOM 1013 OE1 GLU A 233 -12.196 5.278 12.792 1.00 0.00 O ATOM 1014 OE2 GLU A 233 -13.921 4.919 11.558 1.00 0.00 O ATOM 0 H GLU A 233 -8.577 7.427 10.649 1.00 0.00 H new ATOM 0 HA GLU A 233 -9.376 4.997 9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -10.183 5.923 11.613 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -11.081 7.152 10.744 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -12.427 5.440 9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -11.442 4.153 10.258 1.00 0.00 H new ATOM 1021 N ALA A 234 -10.312 7.722 7.896 1.00 0.00 N ATOM 1022 CA ALA A 234 -10.952 8.193 6.642 1.00 0.00 C ATOM 1023 C ALA A 234 -10.328 7.432 5.481 1.00 0.00 C ATOM 1024 O ALA A 234 -10.988 7.078 4.525 1.00 0.00 O ATOM 1025 CB ALA A 234 -10.699 9.687 6.458 1.00 0.00 C ATOM 0 H ALA A 234 -9.838 8.440 8.444 1.00 0.00 H new ATOM 0 HA ALA A 234 -12.027 8.020 6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 234 -11.172 10.025 5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 234 -11.119 10.234 7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 234 -9.626 9.870 6.404 1.00 0.00 H new ATOM 1031 N MET A 235 -9.054 7.167 5.562 1.00 0.00 N ATOM 1032 CA MET A 235 -8.382 6.416 4.471 1.00 0.00 C ATOM 1033 C MET A 235 -9.055 5.050 4.328 1.00 0.00 C ATOM 1034 O MET A 235 -9.272 4.573 3.236 1.00 0.00 O ATOM 1035 CB MET A 235 -6.893 6.256 4.810 1.00 0.00 C ATOM 1036 CG MET A 235 -6.134 5.635 3.626 1.00 0.00 C ATOM 1037 SD MET A 235 -6.588 3.894 3.385 1.00 0.00 S ATOM 1038 CE MET A 235 -6.071 3.279 5.007 1.00 0.00 C ATOM 0 H MET A 235 -8.451 7.439 6.338 1.00 0.00 H new ATOM 0 HA MET A 235 -8.467 6.954 3.527 1.00 0.00 H new ATOM 0 HB2 MET A 235 -6.464 7.227 5.055 1.00 0.00 H new ATOM 0 HB3 MET A 235 -6.781 5.626 5.692 1.00 0.00 H new ATOM 0 HG2 MET A 235 -6.351 6.198 2.718 1.00 0.00 H new ATOM 0 HG3 MET A 235 -5.061 5.712 3.800 1.00 0.00 H new ATOM 0 HE1 MET A 235 -5.791 2.229 4.926 1.00 0.00 H new ATOM 0 HE2 MET A 235 -5.216 3.856 5.359 1.00 0.00 H new ATOM 0 HE3 MET A 235 -6.894 3.381 5.714 1.00 0.00 H new ATOM 1048 N VAL A 236 -9.401 4.415 5.414 1.00 0.00 N ATOM 1049 CA VAL A 236 -10.080 3.088 5.305 1.00 0.00 C ATOM 1050 C VAL A 236 -11.476 3.301 4.702 1.00 0.00 C ATOM 1051 O VAL A 236 -11.947 2.534 3.889 1.00 0.00 O ATOM 1052 CB VAL A 236 -10.228 2.464 6.699 1.00 0.00 C ATOM 1053 CG1 VAL A 236 -11.094 1.202 6.607 1.00 0.00 C ATOM 1054 CG2 VAL A 236 -8.848 2.100 7.257 1.00 0.00 C ATOM 0 H VAL A 236 -9.246 4.751 6.364 1.00 0.00 H new ATOM 0 HA VAL A 236 -9.489 2.424 4.674 1.00 0.00 H new ATOM 0 HB VAL A 236 -10.704 3.184 7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -11.199 0.759 7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -12.079 1.464 6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -10.621 0.484 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -8.961 1.658 8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -8.364 1.384 6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -8.236 2.999 7.329 1.00 0.00 H new ATOM 1064 N VAL A 237 -12.130 4.346 5.113 1.00 0.00 N ATOM 1065 CA VAL A 237 -13.495 4.649 4.600 1.00 0.00 C ATOM 1066 C VAL A 237 -13.400 5.222 3.188 1.00 0.00 C ATOM 1067 O VAL A 237 -14.390 5.404 2.510 1.00 0.00 O ATOM 1068 CB VAL A 237 -14.157 5.669 5.531 1.00 0.00 C ATOM 1069 CG1 VAL A 237 -15.590 5.934 5.072 1.00 0.00 C ATOM 1070 CG2 VAL A 237 -14.187 5.112 6.953 1.00 0.00 C ATOM 0 H VAL A 237 -11.772 5.016 5.794 1.00 0.00 H new ATOM 0 HA VAL A 237 -14.090 3.736 4.570 1.00 0.00 H new ATOM 0 HB VAL A 237 -13.588 6.598 5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 237 -16.057 6.660 5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 237 -15.580 6.327 4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 237 -16.157 5.004 5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 237 -14.658 5.836 7.618 1.00 0.00 H new ATOM 0 HG22 VAL A 237 -14.756 4.183 6.968 1.00 0.00 H new ATOM 0 HG23 VAL A 237 -13.168 4.919 7.290 1.00 0.00 H new ATOM 1080 N ALA A 238 -12.215 5.539 2.755 1.00 0.00 N ATOM 1081 CA ALA A 238 -12.045 6.136 1.414 1.00 0.00 C ATOM 1082 C ALA A 238 -12.595 5.204 0.331 1.00 0.00 C ATOM 1083 O ALA A 238 -13.791 5.041 0.190 1.00 0.00 O ATOM 1084 CB ALA A 238 -10.552 6.388 1.186 1.00 0.00 C ATOM 0 H ALA A 238 -11.351 5.407 3.281 1.00 0.00 H new ATOM 0 HA ALA A 238 -12.598 7.073 1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 238 -10.404 6.829 0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 238 -10.178 7.070 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 238 -10.010 5.444 1.246 1.00 0.00 H new