USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=9 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= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 192 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0176) USER MOD Single : A 202 LYS NZ :NH3+ 159:sc= -0.198 (180deg=-0.979) USER MOD Single : A 203 CYS SG : rot -43:sc= -1.83! USER MOD Single : A 204 TYR OH : rot -95:sc= -0.0765! USER MOD Single : A 214 HIS : no HD1:sc= -4.51! K(o=-4.5!,f=-3) 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= -0.113 X(o=-0.11,f=-0.13) USER MOD Single : A 235 MET CE :methyl -141:sc= -0.371 (180deg=-2.13!) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 181 12.532 2.466 -1.278 1.00 0.00 N ATOM 136 CA ASP A 181 12.225 3.035 -2.629 1.00 0.00 C ATOM 137 C ASP A 181 10.839 3.699 -2.630 1.00 0.00 C ATOM 138 O ASP A 181 9.835 3.063 -2.376 1.00 0.00 O ATOM 139 CB ASP A 181 12.244 1.904 -3.653 1.00 0.00 C ATOM 140 CG ASP A 181 13.680 1.411 -3.801 1.00 0.00 C ATOM 141 OD1 ASP A 181 14.112 0.647 -2.954 1.00 0.00 O ATOM 142 OD2 ASP A 181 14.327 1.808 -4.752 1.00 0.00 O ATOM 0 HA ASP A 181 12.972 3.788 -2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 181 11.595 1.090 -3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 181 11.863 2.255 -4.612 1.00 0.00 H new ATOM 147 N GLU A 182 10.781 4.976 -2.930 1.00 0.00 N ATOM 148 CA GLU A 182 9.469 5.703 -2.965 1.00 0.00 C ATOM 149 C GLU A 182 8.537 5.063 -4.005 1.00 0.00 C ATOM 150 O GLU A 182 7.342 4.954 -3.804 1.00 0.00 O ATOM 151 CB GLU A 182 9.712 7.174 -3.337 1.00 0.00 C ATOM 152 CG GLU A 182 10.414 7.889 -2.179 1.00 0.00 C ATOM 153 CD GLU A 182 11.855 7.382 -2.076 1.00 0.00 C ATOM 154 OE1 GLU A 182 12.354 6.869 -3.067 1.00 0.00 O ATOM 155 OE2 GLU A 182 12.433 7.510 -1.010 1.00 0.00 O ATOM 0 H GLU A 182 11.593 5.551 -3.154 1.00 0.00 H new ATOM 0 HA GLU A 182 9.002 5.641 -1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 182 10.322 7.235 -4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 182 8.764 7.664 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 182 10.405 8.967 -2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 182 9.883 7.704 -1.245 1.00 0.00 H new ATOM 162 N ASP A 183 9.075 4.665 -5.125 1.00 0.00 N ATOM 163 CA ASP A 183 8.230 4.060 -6.196 1.00 0.00 C ATOM 164 C ASP A 183 7.522 2.808 -5.672 1.00 0.00 C ATOM 165 O ASP A 183 6.373 2.564 -5.987 1.00 0.00 O ATOM 166 CB ASP A 183 9.126 3.673 -7.376 1.00 0.00 C ATOM 167 CG ASP A 183 9.541 4.929 -8.143 1.00 0.00 C ATOM 168 OD1 ASP A 183 9.119 6.006 -7.752 1.00 0.00 O ATOM 169 OD2 ASP A 183 10.279 4.792 -9.105 1.00 0.00 O ATOM 0 H ASP A 183 10.068 4.733 -5.346 1.00 0.00 H new ATOM 0 HA ASP A 183 7.479 4.785 -6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 183 10.010 3.146 -7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 183 8.595 2.989 -8.039 1.00 0.00 H new ATOM 174 N ALA A 184 8.186 2.008 -4.890 1.00 0.00 N ATOM 175 CA ALA A 184 7.529 0.774 -4.373 1.00 0.00 C ATOM 176 C ALA A 184 6.457 1.141 -3.350 1.00 0.00 C ATOM 177 O ALA A 184 5.379 0.577 -3.331 1.00 0.00 O ATOM 178 CB ALA A 184 8.581 -0.097 -3.702 1.00 0.00 C ATOM 0 H ALA A 184 9.149 2.151 -4.587 1.00 0.00 H new ATOM 0 HA ALA A 184 7.064 0.237 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 184 8.112 -1.004 -3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 184 9.349 -0.364 -4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 184 9.036 0.452 -2.878 1.00 0.00 H new ATOM 184 N TRP A 185 6.741 2.074 -2.499 1.00 0.00 N ATOM 185 CA TRP A 185 5.733 2.462 -1.489 1.00 0.00 C ATOM 186 C TRP A 185 4.467 2.956 -2.192 1.00 0.00 C ATOM 187 O TRP A 185 3.368 2.571 -1.854 1.00 0.00 O ATOM 188 CB TRP A 185 6.307 3.562 -0.604 1.00 0.00 C ATOM 189 CG TRP A 185 5.275 3.965 0.393 1.00 0.00 C ATOM 190 CD1 TRP A 185 4.688 5.179 0.456 1.00 0.00 C ATOM 191 CD2 TRP A 185 4.682 3.165 1.456 1.00 0.00 C ATOM 192 NE1 TRP A 185 3.777 5.181 1.498 1.00 0.00 N ATOM 193 CE2 TRP A 185 3.738 3.961 2.143 1.00 0.00 C ATOM 194 CE3 TRP A 185 4.872 1.839 1.889 1.00 0.00 C ATOM 195 CZ2 TRP A 185 3.007 3.459 3.222 1.00 0.00 C ATOM 196 CZ3 TRP A 185 4.138 1.332 2.972 1.00 0.00 C ATOM 197 CH2 TRP A 185 3.208 2.141 3.637 1.00 0.00 C ATOM 0 H TRP A 185 7.624 2.584 -2.458 1.00 0.00 H new ATOM 0 HA TRP A 185 5.479 1.601 -0.871 1.00 0.00 H new ATOM 0 HB2 TRP A 185 7.204 3.208 -0.096 1.00 0.00 H new ATOM 0 HB3 TRP A 185 6.601 4.419 -1.210 1.00 0.00 H new ATOM 0 HD1 TRP A 185 4.895 6.012 -0.199 1.00 0.00 H new ATOM 0 HE1 TRP A 185 3.205 5.985 1.757 1.00 0.00 H new ATOM 0 HE3 TRP A 185 5.588 1.207 1.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 2.291 4.086 3.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 4.291 0.313 3.294 1.00 0.00 H new ATOM 0 HH2 TRP A 185 2.647 1.746 4.471 1.00 0.00 H new ATOM 208 N GLN A 186 4.618 3.800 -3.177 1.00 0.00 N ATOM 209 CA GLN A 186 3.428 4.313 -3.919 1.00 0.00 C ATOM 210 C GLN A 186 2.676 3.146 -4.560 1.00 0.00 C ATOM 211 O GLN A 186 1.462 3.112 -4.598 1.00 0.00 O ATOM 212 CB GLN A 186 3.886 5.276 -5.015 1.00 0.00 C ATOM 213 CG GLN A 186 4.411 6.564 -4.382 1.00 0.00 C ATOM 214 CD GLN A 186 3.243 7.359 -3.801 1.00 0.00 C ATOM 215 OE1 GLN A 186 2.393 7.827 -4.529 1.00 0.00 O ATOM 216 NE2 GLN A 186 3.162 7.529 -2.513 1.00 0.00 N ATOM 0 H GLN A 186 5.516 4.158 -3.501 1.00 0.00 H new ATOM 0 HA GLN A 186 2.769 4.833 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 186 4.666 4.811 -5.618 1.00 0.00 H new ATOM 0 HB3 GLN A 186 3.056 5.501 -5.685 1.00 0.00 H new ATOM 0 HG2 GLN A 186 5.131 6.329 -3.598 1.00 0.00 H new ATOM 0 HG3 GLN A 186 4.936 7.161 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 186 3.877 7.136 -1.901 1.00 0.00 H new ATOM 0 HE22 GLN A 186 2.384 8.056 -2.116 1.00 0.00 H new ATOM 225 N PHE A 187 3.402 2.202 -5.087 1.00 0.00 N ATOM 226 CA PHE A 187 2.765 1.036 -5.753 1.00 0.00 C ATOM 227 C PHE A 187 1.881 0.307 -4.743 1.00 0.00 C ATOM 228 O PHE A 187 0.733 0.012 -5.000 1.00 0.00 O ATOM 229 CB PHE A 187 3.873 0.097 -6.251 1.00 0.00 C ATOM 230 CG PHE A 187 3.304 -0.943 -7.196 1.00 0.00 C ATOM 231 CD1 PHE A 187 2.519 -2.001 -6.711 1.00 0.00 C ATOM 232 CD2 PHE A 187 3.569 -0.848 -8.569 1.00 0.00 C ATOM 233 CE1 PHE A 187 2.005 -2.955 -7.599 1.00 0.00 C ATOM 234 CE2 PHE A 187 3.054 -1.800 -9.452 1.00 0.00 C ATOM 235 CZ PHE A 187 2.272 -2.854 -8.967 1.00 0.00 C ATOM 0 H PHE A 187 4.422 2.189 -5.084 1.00 0.00 H new ATOM 0 HA PHE A 187 2.153 1.362 -6.594 1.00 0.00 H new ATOM 0 HB2 PHE A 187 4.646 0.674 -6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 187 4.349 -0.395 -5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 187 2.311 -2.079 -5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 187 4.173 -0.036 -8.946 1.00 0.00 H new ATOM 0 HE1 PHE A 187 1.402 -3.769 -7.226 1.00 0.00 H new ATOM 0 HE2 PHE A 187 3.260 -1.722 -10.509 1.00 0.00 H new ATOM 0 HZ PHE A 187 1.875 -3.590 -9.650 1.00 0.00 H new ATOM 245 N LEU A 188 2.415 0.013 -3.591 1.00 0.00 N ATOM 246 CA LEU A 188 1.618 -0.696 -2.549 1.00 0.00 C ATOM 247 C LEU A 188 0.400 0.141 -2.172 1.00 0.00 C ATOM 248 O LEU A 188 -0.699 -0.357 -2.034 1.00 0.00 O ATOM 249 CB LEU A 188 2.493 -0.904 -1.307 1.00 0.00 C ATOM 250 CG LEU A 188 1.717 -1.658 -0.214 1.00 0.00 C ATOM 251 CD1 LEU A 188 1.385 -3.084 -0.691 1.00 0.00 C ATOM 252 CD2 LEU A 188 2.579 -1.726 1.055 1.00 0.00 C ATOM 0 H LEU A 188 3.374 0.234 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 188 1.286 -1.659 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 188 3.388 -1.465 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 188 2.825 0.061 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 188 0.786 -1.132 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 188 0.836 -3.610 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.775 -3.033 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 188 2.309 -3.620 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 188 2.036 -2.259 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 188 3.508 -2.251 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 188 2.805 -0.716 1.396 1.00 0.00 H new ATOM 264 N ILE A 189 0.602 1.409 -1.966 1.00 0.00 N ATOM 265 CA ILE A 189 -0.526 2.285 -1.558 1.00 0.00 C ATOM 266 C ILE A 189 -1.605 2.303 -2.649 1.00 0.00 C ATOM 267 O ILE A 189 -2.785 2.288 -2.364 1.00 0.00 O ATOM 268 CB ILE A 189 -0.002 3.714 -1.303 1.00 0.00 C ATOM 269 CG1 ILE A 189 0.890 3.734 -0.033 1.00 0.00 C ATOM 270 CG2 ILE A 189 -1.189 4.669 -1.127 1.00 0.00 C ATOM 271 CD1 ILE A 189 0.037 3.821 1.249 1.00 0.00 C ATOM 0 H ILE A 189 1.503 1.878 -2.063 1.00 0.00 H new ATOM 0 HA ILE A 189 -0.968 1.896 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 189 0.596 4.036 -2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 189 1.504 2.834 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 189 1.571 4.584 -0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 189 -0.820 5.679 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 189 -1.799 4.661 -2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 189 -1.793 4.347 -0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 189 0.691 3.833 2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 189 -0.558 4.734 1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 189 -0.626 2.957 1.304 1.00 0.00 H new ATOM 283 N ALA A 190 -1.217 2.342 -3.893 1.00 0.00 N ATOM 284 CA ALA A 190 -2.228 2.377 -4.989 1.00 0.00 C ATOM 285 C ALA A 190 -3.092 1.120 -4.961 1.00 0.00 C ATOM 286 O ALA A 190 -4.283 1.174 -5.198 1.00 0.00 O ATOM 287 CB ALA A 190 -1.520 2.474 -6.336 1.00 0.00 C ATOM 0 H ALA A 190 -0.244 2.351 -4.199 1.00 0.00 H new ATOM 0 HA ALA A 190 -2.868 3.248 -4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -2.261 2.499 -7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -0.921 3.384 -6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -0.872 1.608 -6.469 1.00 0.00 H new ATOM 293 N ASP A 191 -2.508 -0.013 -4.698 1.00 0.00 N ATOM 294 CA ASP A 191 -3.309 -1.264 -4.679 1.00 0.00 C ATOM 295 C ASP A 191 -4.255 -1.255 -3.471 1.00 0.00 C ATOM 296 O ASP A 191 -5.397 -1.658 -3.563 1.00 0.00 O ATOM 297 CB ASP A 191 -2.356 -2.463 -4.579 1.00 0.00 C ATOM 298 CG ASP A 191 -1.700 -2.725 -5.941 1.00 0.00 C ATOM 299 OD1 ASP A 191 -2.061 -2.052 -6.892 1.00 0.00 O ATOM 300 OD2 ASP A 191 -0.845 -3.597 -6.006 1.00 0.00 O ATOM 0 H ASP A 191 -1.515 -0.126 -4.496 1.00 0.00 H new ATOM 0 HA ASP A 191 -3.900 -1.337 -5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 191 -1.590 -2.268 -3.828 1.00 0.00 H new ATOM 0 HB3 ASP A 191 -2.904 -3.347 -4.253 1.00 0.00 H new ATOM 305 N TYR A 192 -3.793 -0.789 -2.341 1.00 0.00 N ATOM 306 CA TYR A 192 -4.668 -0.749 -1.134 1.00 0.00 C ATOM 307 C TYR A 192 -5.891 0.135 -1.412 1.00 0.00 C ATOM 308 O TYR A 192 -6.981 -0.131 -0.947 1.00 0.00 O ATOM 309 CB TYR A 192 -3.878 -0.196 0.058 1.00 0.00 C ATOM 310 CG TYR A 192 -4.594 -0.546 1.337 1.00 0.00 C ATOM 311 CD1 TYR A 192 -4.374 -1.786 1.948 1.00 0.00 C ATOM 312 CD2 TYR A 192 -5.480 0.368 1.910 1.00 0.00 C ATOM 313 CE1 TYR A 192 -5.043 -2.106 3.136 1.00 0.00 C ATOM 314 CE2 TYR A 192 -6.148 0.048 3.095 1.00 0.00 C ATOM 315 CZ TYR A 192 -5.930 -1.186 3.709 1.00 0.00 C ATOM 316 OH TYR A 192 -6.589 -1.493 4.882 1.00 0.00 O ATOM 0 H TYR A 192 -2.847 -0.434 -2.202 1.00 0.00 H new ATOM 0 HA TYR A 192 -5.006 -1.758 -0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -2.871 -0.613 0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -3.775 0.886 -0.030 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -3.690 -2.494 1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -5.649 1.324 1.437 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -4.875 -3.062 3.610 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -6.834 0.756 3.536 1.00 0.00 H new ATOM 0 HH TYR A 192 -7.164 -0.743 5.140 1.00 0.00 H new ATOM 326 N LEU A 193 -5.702 1.198 -2.149 1.00 0.00 N ATOM 327 CA LEU A 193 -6.832 2.128 -2.445 1.00 0.00 C ATOM 328 C LEU A 193 -7.732 1.578 -3.557 1.00 0.00 C ATOM 329 O LEU A 193 -8.750 2.162 -3.875 1.00 0.00 O ATOM 330 CB LEU A 193 -6.262 3.477 -2.886 1.00 0.00 C ATOM 331 CG LEU A 193 -5.410 4.052 -1.750 1.00 0.00 C ATOM 332 CD1 LEU A 193 -4.663 5.289 -2.245 1.00 0.00 C ATOM 333 CD2 LEU A 193 -6.305 4.433 -0.550 1.00 0.00 C ATOM 0 H LEU A 193 -4.808 1.464 -2.561 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.432 2.238 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -5.658 3.355 -3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -7.070 4.164 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 193 -4.693 3.296 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -4.058 5.697 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -4.017 5.014 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.381 6.040 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -5.687 4.840 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -7.033 5.181 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -6.827 3.547 -0.190 1.00 0.00 H new ATOM 345 N ARG A 194 -7.392 0.468 -4.151 1.00 0.00 N ATOM 346 CA ARG A 194 -8.267 -0.071 -5.235 1.00 0.00 C ATOM 347 C ARG A 194 -9.580 -0.579 -4.604 1.00 0.00 C ATOM 348 O ARG A 194 -9.545 -1.328 -3.645 1.00 0.00 O ATOM 349 CB ARG A 194 -7.568 -1.251 -5.926 1.00 0.00 C ATOM 350 CG ARG A 194 -6.514 -0.745 -6.924 1.00 0.00 C ATOM 351 CD ARG A 194 -7.187 -0.055 -8.137 1.00 0.00 C ATOM 352 NE ARG A 194 -6.547 -0.508 -9.417 1.00 0.00 N ATOM 353 CZ ARG A 194 -5.246 -0.594 -9.541 1.00 0.00 C ATOM 354 NH1 ARG A 194 -4.459 -0.147 -8.604 1.00 0.00 N ATOM 355 NH2 ARG A 194 -4.737 -1.097 -10.634 1.00 0.00 N ATOM 0 H ARG A 194 -6.560 -0.083 -3.939 1.00 0.00 H new ATOM 0 HA ARG A 194 -8.469 0.714 -5.964 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -7.094 -1.888 -5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -8.305 -1.864 -6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -5.844 -0.043 -6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -5.903 -1.580 -7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -8.251 -0.289 -8.152 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -7.100 1.027 -8.042 1.00 0.00 H new ATOM 0 HE ARG A 194 -7.140 -0.755 -10.210 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -4.855 0.275 -7.764 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -3.447 -0.219 -8.711 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -5.352 -1.419 -11.382 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -3.725 -1.168 -10.740 1.00 0.00 H new ATOM 369 N PRO A 195 -10.737 -0.198 -5.124 1.00 0.00 N ATOM 370 CA PRO A 195 -12.042 -0.660 -4.568 1.00 0.00 C ATOM 371 C PRO A 195 -12.006 -2.140 -4.176 1.00 0.00 C ATOM 372 O PRO A 195 -12.685 -2.570 -3.264 1.00 0.00 O ATOM 373 CB PRO A 195 -13.018 -0.423 -5.724 1.00 0.00 C ATOM 374 CG PRO A 195 -12.470 0.769 -6.439 1.00 0.00 C ATOM 375 CD PRO A 195 -10.941 0.702 -6.282 1.00 0.00 C ATOM 0 HA PRO A 195 -12.316 -0.133 -3.654 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -13.072 -1.290 -6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -14.028 -0.237 -5.359 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -12.754 0.755 -7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -12.864 1.692 -6.014 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -10.465 0.310 -7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -10.515 1.689 -6.100 1.00 0.00 H new ATOM 383 N GLU A 196 -11.220 -2.916 -4.865 1.00 0.00 N ATOM 384 CA GLU A 196 -11.135 -4.369 -4.548 1.00 0.00 C ATOM 385 C GLU A 196 -10.527 -4.567 -3.154 1.00 0.00 C ATOM 386 O GLU A 196 -10.958 -5.416 -2.401 1.00 0.00 O ATOM 387 CB GLU A 196 -10.257 -5.063 -5.593 1.00 0.00 C ATOM 388 CG GLU A 196 -10.993 -5.091 -6.935 1.00 0.00 C ATOM 389 CD GLU A 196 -10.120 -5.783 -7.981 1.00 0.00 C ATOM 390 OE1 GLU A 196 -10.190 -6.997 -8.077 1.00 0.00 O ATOM 391 OE2 GLU A 196 -9.397 -5.085 -8.674 1.00 0.00 O ATOM 0 H GLU A 196 -10.630 -2.606 -5.637 1.00 0.00 H new ATOM 0 HA GLU A 196 -12.136 -4.800 -4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -9.309 -4.535 -5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -10.024 -6.078 -5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -11.941 -5.618 -6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -11.227 -4.076 -7.255 1.00 0.00 H new ATOM 398 N LYS A 197 -9.535 -3.789 -2.799 1.00 0.00 N ATOM 399 CA LYS A 197 -8.915 -3.946 -1.453 1.00 0.00 C ATOM 400 C LYS A 197 -8.610 -5.428 -1.186 1.00 0.00 C ATOM 401 O LYS A 197 -9.112 -6.007 -0.244 1.00 0.00 O ATOM 402 CB LYS A 197 -9.890 -3.432 -0.395 1.00 0.00 C ATOM 403 CG LYS A 197 -9.136 -3.188 0.912 1.00 0.00 C ATOM 404 CD LYS A 197 -10.102 -2.645 1.978 1.00 0.00 C ATOM 405 CE LYS A 197 -10.780 -3.811 2.707 1.00 0.00 C ATOM 406 NZ LYS A 197 -9.844 -4.332 3.739 1.00 0.00 N ATOM 0 H LYS A 197 -9.131 -3.056 -3.382 1.00 0.00 H new ATOM 0 HA LYS A 197 -7.985 -3.378 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -10.360 -2.509 -0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -10.689 -4.157 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -8.682 -4.116 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -8.325 -2.478 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -9.559 -2.024 2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -10.854 -2.010 1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -11.708 -3.479 3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -11.041 -4.599 2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -10.025 -5.344 3.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -8.864 -4.201 3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -9.987 -3.815 4.630 1.00 0.00 H new ATOM 420 N PRO A 198 -7.795 -6.040 -2.007 1.00 0.00 N ATOM 421 CA PRO A 198 -7.426 -7.480 -1.847 1.00 0.00 C ATOM 422 C PRO A 198 -6.821 -7.757 -0.469 1.00 0.00 C ATOM 423 O PRO A 198 -6.696 -6.871 0.352 1.00 0.00 O ATOM 424 CB PRO A 198 -6.397 -7.740 -2.972 1.00 0.00 C ATOM 425 CG PRO A 198 -5.953 -6.382 -3.424 1.00 0.00 C ATOM 426 CD PRO A 198 -7.126 -5.440 -3.171 1.00 0.00 C ATOM 0 HA PRO A 198 -8.294 -8.135 -1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 198 -5.555 -8.328 -2.607 1.00 0.00 H new ATOM 0 HB3 PRO A 198 -6.845 -8.301 -3.793 1.00 0.00 H new ATOM 0 HG2 PRO A 198 -5.069 -6.059 -2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 198 -5.684 -6.393 -4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 198 -6.789 -4.425 -2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 198 -7.791 -5.384 -4.033 1.00 0.00 H new ATOM 434 N ALA A 199 -6.441 -8.974 -0.211 1.00 0.00 N ATOM 435 CA ALA A 199 -5.849 -9.284 1.112 1.00 0.00 C ATOM 436 C ALA A 199 -4.511 -8.556 1.240 1.00 0.00 C ATOM 437 O ALA A 199 -3.713 -8.534 0.323 1.00 0.00 O ATOM 438 CB ALA A 199 -5.635 -10.795 1.238 1.00 0.00 C ATOM 0 H ALA A 199 -6.515 -9.761 -0.855 1.00 0.00 H new ATOM 0 HA ALA A 199 -6.521 -8.955 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 199 -5.200 -11.021 2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 199 -6.592 -11.307 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 199 -4.961 -11.134 0.452 1.00 0.00 H new ATOM 444 N PHE A 200 -4.260 -7.959 2.369 1.00 0.00 N ATOM 445 CA PHE A 200 -2.973 -7.239 2.561 1.00 0.00 C ATOM 446 C PHE A 200 -1.813 -8.226 2.396 1.00 0.00 C ATOM 447 O PHE A 200 -0.801 -7.924 1.794 1.00 0.00 O ATOM 448 CB PHE A 200 -2.949 -6.625 3.961 1.00 0.00 C ATOM 449 CG PHE A 200 -1.588 -6.025 4.231 1.00 0.00 C ATOM 450 CD1 PHE A 200 -1.148 -4.927 3.481 1.00 0.00 C ATOM 451 CD2 PHE A 200 -0.767 -6.567 5.230 1.00 0.00 C ATOM 452 CE1 PHE A 200 0.111 -4.370 3.731 1.00 0.00 C ATOM 453 CE2 PHE A 200 0.492 -6.009 5.478 1.00 0.00 C ATOM 454 CZ PHE A 200 0.930 -4.910 4.729 1.00 0.00 C ATOM 0 H PHE A 200 -4.892 -7.938 3.169 1.00 0.00 H new ATOM 0 HA PHE A 200 -2.872 -6.446 1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -3.719 -5.858 4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -3.176 -7.387 4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -1.780 -4.511 2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -1.106 -7.414 5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 200 0.451 -3.523 3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 200 1.126 -6.426 6.247 1.00 0.00 H new ATOM 0 HZ PHE A 200 1.901 -4.479 4.922 1.00 0.00 H new ATOM 464 N ARG A 201 -1.955 -9.407 2.929 1.00 0.00 N ATOM 465 CA ARG A 201 -0.871 -10.418 2.805 1.00 0.00 C ATOM 466 C ARG A 201 -0.711 -10.827 1.337 1.00 0.00 C ATOM 467 O ARG A 201 0.389 -11.023 0.862 1.00 0.00 O ATOM 468 CB ARG A 201 -1.212 -11.655 3.650 1.00 0.00 C ATOM 469 CG ARG A 201 -2.695 -12.057 3.449 1.00 0.00 C ATOM 470 CD ARG A 201 -3.548 -11.577 4.631 1.00 0.00 C ATOM 471 NE ARG A 201 -3.238 -12.412 5.828 1.00 0.00 N ATOM 472 CZ ARG A 201 -3.627 -12.032 7.016 1.00 0.00 C ATOM 473 NH1 ARG A 201 -4.316 -10.931 7.150 1.00 0.00 N ATOM 474 NH2 ARG A 201 -3.337 -12.762 8.063 1.00 0.00 N ATOM 0 H ARG A 201 -2.778 -9.716 3.447 1.00 0.00 H new ATOM 0 HA ARG A 201 0.063 -9.985 3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 201 -0.563 -12.485 3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 201 -1.025 -11.446 4.703 1.00 0.00 H new ATOM 0 HG2 ARG A 201 -3.072 -11.625 2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 201 -2.774 -13.140 3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 201 -3.342 -10.527 4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 201 -4.607 -11.651 4.385 1.00 0.00 H new ATOM 0 HE ARG A 201 -2.720 -13.284 5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 201 -4.548 -10.372 6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 201 -4.622 -10.630 8.075 1.00 0.00 H new ATOM 0 HH21 ARG A 201 -2.808 -13.627 7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 201 -3.640 -12.466 8.991 1.00 0.00 H new ATOM 488 N LYS A 202 -1.797 -10.983 0.617 1.00 0.00 N ATOM 489 CA LYS A 202 -1.685 -11.404 -0.809 1.00 0.00 C ATOM 490 C LYS A 202 -1.136 -10.254 -1.651 1.00 0.00 C ATOM 491 O LYS A 202 -0.315 -10.452 -2.523 1.00 0.00 O ATOM 492 CB LYS A 202 -3.065 -11.814 -1.335 1.00 0.00 C ATOM 493 CG LYS A 202 -2.909 -12.441 -2.718 1.00 0.00 C ATOM 494 CD LYS A 202 -4.271 -12.896 -3.232 1.00 0.00 C ATOM 495 CE LYS A 202 -4.089 -13.540 -4.605 1.00 0.00 C ATOM 496 NZ LYS A 202 -3.100 -14.652 -4.508 1.00 0.00 N ATOM 0 H LYS A 202 -2.748 -10.837 0.955 1.00 0.00 H new ATOM 0 HA LYS A 202 -1.004 -12.252 -0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -3.532 -12.523 -0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -3.720 -10.944 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -2.472 -11.719 -3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -2.226 -13.289 -2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -4.718 -13.608 -2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -4.951 -12.047 -3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -5.044 -13.919 -4.969 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -3.746 -12.796 -5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -3.230 -15.303 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -2.136 -14.262 -4.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -3.243 -15.167 -3.616 1.00 0.00 H new ATOM 510 N CYS A 203 -1.574 -9.055 -1.392 1.00 0.00 N ATOM 511 CA CYS A 203 -1.069 -7.894 -2.177 1.00 0.00 C ATOM 512 C CYS A 203 0.433 -7.715 -1.926 1.00 0.00 C ATOM 513 O CYS A 203 1.194 -7.445 -2.831 1.00 0.00 O ATOM 514 CB CYS A 203 -1.828 -6.632 -1.752 1.00 0.00 C ATOM 515 SG CYS A 203 -1.176 -6.005 -0.181 1.00 0.00 S ATOM 0 H CYS A 203 -2.259 -8.828 -0.671 1.00 0.00 H new ATOM 0 HA CYS A 203 -1.229 -8.071 -3.241 1.00 0.00 H new ATOM 0 HB2 CYS A 203 -1.736 -5.867 -2.523 1.00 0.00 H new ATOM 0 HB3 CYS A 203 -2.890 -6.855 -1.650 1.00 0.00 H new ATOM 0 HG CYS A 203 -0.985 -6.997 0.637 1.00 0.00 H new ATOM 521 N TYR A 204 0.860 -7.868 -0.700 1.00 0.00 N ATOM 522 CA TYR A 204 2.308 -7.701 -0.382 1.00 0.00 C ATOM 523 C TYR A 204 3.117 -8.723 -1.186 1.00 0.00 C ATOM 524 O TYR A 204 4.180 -8.426 -1.693 1.00 0.00 O ATOM 525 CB TYR A 204 2.532 -7.919 1.125 1.00 0.00 C ATOM 526 CG TYR A 204 3.784 -7.192 1.572 1.00 0.00 C ATOM 527 CD1 TYR A 204 5.046 -7.723 1.281 1.00 0.00 C ATOM 528 CD2 TYR A 204 3.677 -5.983 2.272 1.00 0.00 C ATOM 529 CE1 TYR A 204 6.200 -7.044 1.693 1.00 0.00 C ATOM 530 CE2 TYR A 204 4.830 -5.308 2.682 1.00 0.00 C ATOM 531 CZ TYR A 204 6.089 -5.837 2.392 1.00 0.00 C ATOM 532 OH TYR A 204 7.221 -5.164 2.796 1.00 0.00 O ATOM 0 H TYR A 204 0.267 -8.102 0.096 1.00 0.00 H new ATOM 0 HA TYR A 204 2.632 -6.694 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 204 1.671 -7.556 1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 204 2.624 -8.984 1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 204 5.130 -8.654 0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 204 2.703 -5.573 2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 204 7.175 -7.452 1.471 1.00 0.00 H new ATOM 0 HE2 TYR A 204 4.747 -4.377 3.223 1.00 0.00 H new ATOM 0 HH TYR A 204 7.435 -5.410 3.720 1.00 0.00 H new ATOM 542 N GLU A 205 2.631 -9.924 -1.309 1.00 0.00 N ATOM 543 CA GLU A 205 3.385 -10.934 -2.096 1.00 0.00 C ATOM 544 C GLU A 205 3.546 -10.424 -3.532 1.00 0.00 C ATOM 545 O GLU A 205 4.597 -10.544 -4.130 1.00 0.00 O ATOM 546 CB GLU A 205 2.618 -12.252 -2.101 1.00 0.00 C ATOM 547 CG GLU A 205 2.658 -12.877 -0.702 1.00 0.00 C ATOM 548 CD GLU A 205 1.826 -14.162 -0.685 1.00 0.00 C ATOM 549 OE1 GLU A 205 2.193 -15.090 -1.385 1.00 0.00 O ATOM 550 OE2 GLU A 205 0.837 -14.194 0.029 1.00 0.00 O ATOM 0 H GLU A 205 1.753 -10.248 -0.903 1.00 0.00 H new ATOM 0 HA GLU A 205 4.367 -11.095 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 205 1.585 -12.082 -2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 205 3.055 -12.936 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 205 3.688 -13.096 -0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 205 2.270 -12.172 0.033 1.00 0.00 H new ATOM 557 N ARG A 206 2.508 -9.839 -4.080 1.00 0.00 N ATOM 558 CA ARG A 206 2.589 -9.293 -5.469 1.00 0.00 C ATOM 559 C ARG A 206 3.681 -8.225 -5.517 1.00 0.00 C ATOM 560 O ARG A 206 4.441 -8.128 -6.460 1.00 0.00 O ATOM 561 CB ARG A 206 1.240 -8.650 -5.842 1.00 0.00 C ATOM 562 CG ARG A 206 1.287 -8.097 -7.272 1.00 0.00 C ATOM 563 CD ARG A 206 -0.062 -7.459 -7.623 1.00 0.00 C ATOM 564 NE ARG A 206 -1.127 -8.500 -7.627 1.00 0.00 N ATOM 565 CZ ARG A 206 -2.382 -8.149 -7.583 1.00 0.00 C ATOM 566 NH1 ARG A 206 -2.710 -6.887 -7.552 1.00 0.00 N ATOM 567 NH2 ARG A 206 -3.311 -9.063 -7.572 1.00 0.00 N ATOM 0 H ARG A 206 1.605 -9.716 -3.622 1.00 0.00 H new ATOM 0 HA ARG A 206 2.819 -10.096 -6.170 1.00 0.00 H new ATOM 0 HB2 ARG A 206 0.442 -9.388 -5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 206 1.007 -7.847 -5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 206 2.084 -7.358 -7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 206 1.515 -8.898 -7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 206 -0.305 -6.680 -6.900 1.00 0.00 H new ATOM 0 HD3 ARG A 206 -0.005 -6.980 -8.601 1.00 0.00 H new ATOM 0 HE ARG A 206 -0.875 -9.488 -7.664 1.00 0.00 H new ATOM 0 HH11 ARG A 206 -1.984 -6.171 -7.562 1.00 0.00 H new ATOM 0 HH12 ARG A 206 -3.693 -6.616 -7.518 1.00 0.00 H new ATOM 0 HH21 ARG A 206 -3.056 -10.050 -7.598 1.00 0.00 H new ATOM 0 HH22 ARG A 206 -4.294 -8.791 -7.538 1.00 0.00 H new ATOM 581 N LEU A 207 3.751 -7.412 -4.502 1.00 0.00 N ATOM 582 CA LEU A 207 4.775 -6.336 -4.476 1.00 0.00 C ATOM 583 C LEU A 207 6.174 -6.960 -4.514 1.00 0.00 C ATOM 584 O LEU A 207 7.070 -6.459 -5.163 1.00 0.00 O ATOM 585 CB LEU A 207 4.601 -5.515 -3.197 1.00 0.00 C ATOM 586 CG LEU A 207 5.595 -4.346 -3.168 1.00 0.00 C ATOM 587 CD1 LEU A 207 5.215 -3.294 -4.223 1.00 0.00 C ATOM 588 CD2 LEU A 207 5.564 -3.713 -1.783 1.00 0.00 C ATOM 0 H LEU A 207 3.140 -7.448 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 207 4.655 -5.686 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 207 3.581 -5.134 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 207 4.754 -6.152 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 207 6.596 -4.716 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 207 5.929 -2.471 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 207 5.231 -3.749 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 207 4.215 -2.915 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 207 6.266 -2.880 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 207 4.559 -3.349 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 207 5.845 -4.456 -1.037 1.00 0.00 H new ATOM 600 N GLU A 208 6.370 -8.046 -3.817 1.00 0.00 N ATOM 601 CA GLU A 208 7.716 -8.675 -3.808 1.00 0.00 C ATOM 602 C GLU A 208 8.083 -9.049 -5.243 1.00 0.00 C ATOM 603 O GLU A 208 9.206 -8.867 -5.667 1.00 0.00 O ATOM 604 CB GLU A 208 7.680 -9.944 -2.943 1.00 0.00 C ATOM 605 CG GLU A 208 7.516 -9.555 -1.471 1.00 0.00 C ATOM 606 CD GLU A 208 7.459 -10.814 -0.598 1.00 0.00 C ATOM 607 OE1 GLU A 208 6.409 -11.435 -0.559 1.00 0.00 O ATOM 608 OE2 GLU A 208 8.463 -11.135 0.016 1.00 0.00 O ATOM 0 H GLU A 208 5.661 -8.520 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 208 8.452 -7.983 -3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 208 6.856 -10.586 -3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 208 8.598 -10.516 -3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 208 8.348 -8.923 -1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.605 -8.971 -1.340 1.00 0.00 H new ATOM 615 N LEU A 209 7.149 -9.541 -6.009 1.00 0.00 N ATOM 616 CA LEU A 209 7.482 -9.880 -7.418 1.00 0.00 C ATOM 617 C LEU A 209 7.898 -8.589 -8.131 1.00 0.00 C ATOM 618 O LEU A 209 8.843 -8.563 -8.897 1.00 0.00 O ATOM 619 CB LEU A 209 6.256 -10.476 -8.108 1.00 0.00 C ATOM 620 CG LEU A 209 5.878 -11.817 -7.458 1.00 0.00 C ATOM 621 CD1 LEU A 209 4.531 -12.276 -8.017 1.00 0.00 C ATOM 622 CD2 LEU A 209 6.946 -12.886 -7.759 1.00 0.00 C ATOM 0 H LEU A 209 6.186 -9.720 -5.726 1.00 0.00 H new ATOM 0 HA LEU A 209 8.291 -10.609 -7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 209 5.418 -9.782 -8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 209 6.462 -10.623 -9.168 1.00 0.00 H new ATOM 0 HG LEU A 209 5.814 -11.683 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 209 4.253 -13.227 -7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 209 3.770 -11.529 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 209 4.608 -12.399 -9.097 1.00 0.00 H new ATOM 0 HD21 LEU A 209 6.660 -13.828 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 209 7.026 -13.027 -8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 209 7.908 -12.561 -7.363 1.00 0.00 H new ATOM 634 N ALA A 210 7.202 -7.512 -7.858 1.00 0.00 N ATOM 635 CA ALA A 210 7.548 -6.201 -8.482 1.00 0.00 C ATOM 636 C ALA A 210 8.918 -5.766 -7.972 1.00 0.00 C ATOM 637 O ALA A 210 9.753 -5.280 -8.710 1.00 0.00 O ATOM 638 CB ALA A 210 6.497 -5.155 -8.079 1.00 0.00 C ATOM 0 H ALA A 210 6.403 -7.487 -7.224 1.00 0.00 H new ATOM 0 HA ALA A 210 7.567 -6.295 -9.568 1.00 0.00 H new ATOM 0 HB1 ALA A 210 6.746 -4.196 -8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 210 5.514 -5.475 -8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 210 6.485 -5.051 -6.994 1.00 0.00 H new ATOM 644 N ALA A 211 9.144 -5.942 -6.701 1.00 0.00 N ATOM 645 CA ALA A 211 10.443 -5.549 -6.106 1.00 0.00 C ATOM 646 C ALA A 211 11.571 -6.290 -6.825 1.00 0.00 C ATOM 647 O ALA A 211 12.610 -5.732 -7.105 1.00 0.00 O ATOM 648 CB ALA A 211 10.443 -5.929 -4.621 1.00 0.00 C ATOM 0 H ALA A 211 8.475 -6.346 -6.045 1.00 0.00 H new ATOM 0 HA ALA A 211 10.593 -4.474 -6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 211 11.395 -5.644 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 211 9.632 -5.408 -4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 211 10.302 -7.005 -4.521 1.00 0.00 H new ATOM 654 N ARG A 212 11.369 -7.538 -7.144 1.00 0.00 N ATOM 655 CA ARG A 212 12.436 -8.293 -7.858 1.00 0.00 C ATOM 656 C ARG A 212 12.649 -7.669 -9.238 1.00 0.00 C ATOM 657 O ARG A 212 13.763 -7.544 -9.706 1.00 0.00 O ATOM 658 CB ARG A 212 12.016 -9.771 -8.000 1.00 0.00 C ATOM 659 CG ARG A 212 13.172 -10.622 -8.592 1.00 0.00 C ATOM 660 CD ARG A 212 12.988 -10.823 -10.105 1.00 0.00 C ATOM 661 NE ARG A 212 14.194 -11.506 -10.657 1.00 0.00 N ATOM 662 CZ ARG A 212 14.167 -12.019 -11.855 1.00 0.00 C ATOM 663 NH1 ARG A 212 13.086 -11.938 -12.577 1.00 0.00 N ATOM 664 NH2 ARG A 212 15.228 -12.600 -12.340 1.00 0.00 N ATOM 0 H ARG A 212 10.519 -8.064 -6.943 1.00 0.00 H new ATOM 0 HA ARG A 212 13.367 -8.246 -7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 212 11.730 -10.167 -7.026 1.00 0.00 H new ATOM 0 HB3 ARG A 212 11.139 -9.844 -8.644 1.00 0.00 H new ATOM 0 HG2 ARG A 212 14.126 -10.130 -8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 212 13.207 -11.591 -8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 212 12.096 -11.419 -10.299 1.00 0.00 H new ATOM 0 HD3 ARG A 212 12.842 -9.861 -10.597 1.00 0.00 H new ATOM 0 HE ARG A 212 15.043 -11.572 -10.095 1.00 0.00 H new ATOM 0 HH11 ARG A 212 12.258 -11.472 -12.205 1.00 0.00 H new ATOM 0 HH12 ARG A 212 13.067 -12.340 -13.514 1.00 0.00 H new ATOM 0 HH21 ARG A 212 16.080 -12.654 -11.782 1.00 0.00 H new ATOM 0 HH22 ARG A 212 15.206 -13.001 -13.278 1.00 0.00 H new ATOM 678 N GLU A 213 11.593 -7.275 -9.899 1.00 0.00 N ATOM 679 CA GLU A 213 11.746 -6.666 -11.254 1.00 0.00 C ATOM 680 C GLU A 213 12.403 -5.279 -11.162 1.00 0.00 C ATOM 681 O GLU A 213 13.244 -4.933 -11.968 1.00 0.00 O ATOM 682 CB GLU A 213 10.364 -6.515 -11.887 1.00 0.00 C ATOM 683 CG GLU A 213 9.794 -7.898 -12.196 1.00 0.00 C ATOM 684 CD GLU A 213 8.410 -7.746 -12.822 1.00 0.00 C ATOM 685 OE1 GLU A 213 8.347 -7.492 -14.013 1.00 0.00 O ATOM 686 OE2 GLU A 213 7.436 -7.878 -12.097 1.00 0.00 O ATOM 0 H GLU A 213 10.633 -7.348 -9.561 1.00 0.00 H new ATOM 0 HA GLU A 213 12.380 -7.315 -11.858 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.699 -5.978 -11.211 1.00 0.00 H new ATOM 0 HB3 GLU A 213 10.433 -5.925 -12.801 1.00 0.00 H new ATOM 0 HG2 GLU A 213 10.456 -8.433 -12.876 1.00 0.00 H new ATOM 0 HG3 GLU A 213 9.730 -8.490 -11.283 1.00 0.00 H new ATOM 693 N HIS A 214 12.023 -4.477 -10.201 1.00 0.00 N ATOM 694 CA HIS A 214 12.624 -3.110 -10.080 1.00 0.00 C ATOM 695 C HIS A 214 13.790 -3.121 -9.082 1.00 0.00 C ATOM 696 O HIS A 214 14.522 -2.157 -8.958 1.00 0.00 O ATOM 697 CB HIS A 214 11.550 -2.139 -9.592 1.00 0.00 C ATOM 698 CG HIS A 214 10.531 -1.917 -10.682 1.00 0.00 C ATOM 699 ND1 HIS A 214 10.771 -1.088 -11.771 1.00 0.00 N ATOM 700 CD2 HIS A 214 9.263 -2.410 -10.860 1.00 0.00 C ATOM 701 CE1 HIS A 214 9.669 -1.111 -12.548 1.00 0.00 C ATOM 702 NE2 HIS A 214 8.722 -1.901 -12.037 1.00 0.00 N ATOM 0 H HIS A 214 11.324 -4.707 -9.495 1.00 0.00 H new ATOM 0 HA HIS A 214 13.001 -2.799 -11.054 1.00 0.00 H new ATOM 0 HB2 HIS A 214 11.063 -2.538 -8.702 1.00 0.00 H new ATOM 0 HB3 HIS A 214 12.006 -1.190 -9.308 1.00 0.00 H new ATOM 0 HD2 HIS A 214 8.761 -3.090 -10.188 1.00 0.00 H new ATOM 0 HE1 HIS A 214 9.565 -0.558 -13.470 1.00 0.00 H new ATOM 0 HE2 HIS A 214 7.799 -2.091 -12.426 1.00 0.00 H new ATOM 710 N GLY A 215 13.969 -4.195 -8.362 1.00 0.00 N ATOM 711 CA GLY A 215 15.083 -4.247 -7.373 1.00 0.00 C ATOM 712 C GLY A 215 14.758 -3.337 -6.187 1.00 0.00 C ATOM 713 O GLY A 215 15.639 -2.877 -5.490 1.00 0.00 O ATOM 0 H GLY A 215 13.394 -5.036 -8.415 1.00 0.00 H new ATOM 0 HA2 GLY A 215 15.230 -5.271 -7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 215 16.015 -3.931 -7.842 1.00 0.00 H new ATOM 717 N TRP A 216 13.502 -3.066 -5.949 1.00 0.00 N ATOM 718 CA TRP A 216 13.147 -2.180 -4.803 1.00 0.00 C ATOM 719 C TRP A 216 13.396 -2.891 -3.478 1.00 0.00 C ATOM 720 O TRP A 216 13.078 -4.052 -3.309 1.00 0.00 O ATOM 721 CB TRP A 216 11.658 -1.821 -4.828 1.00 0.00 C ATOM 722 CG TRP A 216 11.294 -1.019 -6.032 1.00 0.00 C ATOM 723 CD1 TRP A 216 12.041 -0.041 -6.603 1.00 0.00 C ATOM 724 CD2 TRP A 216 10.073 -1.109 -6.814 1.00 0.00 C ATOM 725 NE1 TRP A 216 11.347 0.472 -7.684 1.00 0.00 N ATOM 726 CE2 TRP A 216 10.129 -0.157 -7.856 1.00 0.00 C ATOM 727 CE3 TRP A 216 8.930 -1.925 -6.715 1.00 0.00 C ATOM 728 CZ2 TRP A 216 9.082 -0.017 -8.772 1.00 0.00 C ATOM 729 CZ3 TRP A 216 7.879 -1.788 -7.632 1.00 0.00 C ATOM 730 CH2 TRP A 216 7.953 -0.835 -8.658 1.00 0.00 C ATOM 0 H TRP A 216 12.713 -3.416 -6.493 1.00 0.00 H new ATOM 0 HA TRP A 216 13.764 -1.286 -4.895 1.00 0.00 H new ATOM 0 HB2 TRP A 216 11.065 -2.735 -4.809 1.00 0.00 H new ATOM 0 HB3 TRP A 216 11.406 -1.259 -3.929 1.00 0.00 H new ATOM 0 HD1 TRP A 216 13.016 0.283 -6.269 1.00 0.00 H new ATOM 0 HE1 TRP A 216 11.692 1.223 -8.281 1.00 0.00 H new ATOM 0 HE3 TRP A 216 8.863 -2.661 -5.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 9.144 0.717 -9.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 7.007 -2.420 -7.548 1.00 0.00 H new ATOM 0 HH2 TRP A 216 7.139 -0.733 -9.360 1.00 0.00 H new ATOM 741 N SER A 217 13.892 -2.172 -2.511 1.00 0.00 N ATOM 742 CA SER A 217 14.080 -2.769 -1.162 1.00 0.00 C ATOM 743 C SER A 217 12.776 -2.516 -0.410 1.00 0.00 C ATOM 744 O SER A 217 12.455 -1.393 -0.085 1.00 0.00 O ATOM 745 CB SER A 217 15.235 -2.080 -0.436 1.00 0.00 C ATOM 746 OG SER A 217 15.333 -2.604 0.882 1.00 0.00 O ATOM 0 H SER A 217 14.175 -1.196 -2.597 1.00 0.00 H new ATOM 0 HA SER A 217 14.315 -3.832 -1.225 1.00 0.00 H new ATOM 0 HB2 SER A 217 16.168 -2.241 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A 217 15.069 -1.003 -0.401 1.00 0.00 H new ATOM 0 HG SER A 217 16.073 -2.168 1.353 1.00 0.00 H new ATOM 752 N ILE A 218 11.995 -3.533 -0.163 1.00 0.00 N ATOM 753 CA ILE A 218 10.693 -3.308 0.532 1.00 0.00 C ATOM 754 C ILE A 218 10.901 -3.322 2.055 1.00 0.00 C ATOM 755 O ILE A 218 11.761 -4.025 2.548 1.00 0.00 O ATOM 756 CB ILE A 218 9.710 -4.419 0.120 1.00 0.00 C ATOM 757 CG1 ILE A 218 10.108 -5.751 0.799 1.00 0.00 C ATOM 758 CG2 ILE A 218 9.735 -4.572 -1.413 1.00 0.00 C ATOM 759 CD1 ILE A 218 9.480 -6.944 0.057 1.00 0.00 C ATOM 0 H ILE A 218 12.199 -4.502 -0.409 1.00 0.00 H new ATOM 0 HA ILE A 218 10.287 -2.337 0.248 1.00 0.00 H new ATOM 0 HB ILE A 218 8.702 -4.155 0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 218 11.193 -5.851 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 218 9.780 -5.748 1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 218 9.041 -5.358 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 218 9.440 -3.631 -1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 218 10.742 -4.836 -1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 218 9.771 -7.872 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 218 8.394 -6.851 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 218 9.830 -6.955 -0.975 1.00 0.00 H new ATOM 771 N PRO A 219 10.119 -2.566 2.800 1.00 0.00 N ATOM 772 CA PRO A 219 10.232 -2.524 4.284 1.00 0.00 C ATOM 773 C PRO A 219 9.575 -3.745 4.936 1.00 0.00 C ATOM 774 O PRO A 219 8.955 -4.558 4.279 1.00 0.00 O ATOM 775 CB PRO A 219 9.486 -1.238 4.658 1.00 0.00 C ATOM 776 CG PRO A 219 8.436 -1.092 3.606 1.00 0.00 C ATOM 777 CD PRO A 219 9.048 -1.662 2.320 1.00 0.00 C ATOM 0 HA PRO A 219 11.267 -2.538 4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 219 9.044 -1.311 5.652 1.00 0.00 H new ATOM 0 HB3 PRO A 219 10.157 -0.379 4.670 1.00 0.00 H new ATOM 0 HG2 PRO A 219 7.530 -1.633 3.881 1.00 0.00 H new ATOM 0 HG3 PRO A 219 8.156 -0.047 3.476 1.00 0.00 H new ATOM 0 HD2 PRO A 219 8.306 -2.201 1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 219 9.448 -0.872 1.685 1.00 0.00 H new ATOM 785 N SER A 220 9.705 -3.878 6.222 1.00 0.00 N ATOM 786 CA SER A 220 9.083 -5.036 6.913 1.00 0.00 C ATOM 787 C SER A 220 7.565 -4.978 6.705 1.00 0.00 C ATOM 788 O SER A 220 6.964 -3.920 6.717 1.00 0.00 O ATOM 789 CB SER A 220 9.436 -4.984 8.402 1.00 0.00 C ATOM 790 OG SER A 220 10.826 -5.241 8.557 1.00 0.00 O ATOM 0 H SER A 220 10.216 -3.234 6.826 1.00 0.00 H new ATOM 0 HA SER A 220 9.458 -5.974 6.504 1.00 0.00 H new ATOM 0 HB2 SER A 220 9.185 -4.007 8.814 1.00 0.00 H new ATOM 0 HB3 SER A 220 8.853 -5.722 8.953 1.00 0.00 H new ATOM 0 HG SER A 220 11.061 -5.208 9.508 1.00 0.00 H new ATOM 796 N ARG A 221 6.943 -6.105 6.490 1.00 0.00 N ATOM 797 CA ARG A 221 5.472 -6.109 6.253 1.00 0.00 C ATOM 798 C ARG A 221 4.773 -5.405 7.417 1.00 0.00 C ATOM 799 O ARG A 221 3.828 -4.667 7.233 1.00 0.00 O ATOM 800 CB ARG A 221 4.984 -7.561 6.176 1.00 0.00 C ATOM 801 CG ARG A 221 5.645 -8.277 4.989 1.00 0.00 C ATOM 802 CD ARG A 221 5.154 -9.744 4.907 1.00 0.00 C ATOM 803 NE ARG A 221 6.302 -10.663 4.612 1.00 0.00 N ATOM 804 CZ ARG A 221 7.202 -10.365 3.709 1.00 0.00 C ATOM 805 NH1 ARG A 221 7.054 -9.314 2.954 1.00 0.00 N ATOM 806 NH2 ARG A 221 8.239 -11.139 3.541 1.00 0.00 N ATOM 0 H ARG A 221 7.389 -7.022 6.468 1.00 0.00 H new ATOM 0 HA ARG A 221 5.245 -5.591 5.321 1.00 0.00 H new ATOM 0 HB2 ARG A 221 5.221 -8.082 7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 221 3.900 -7.583 6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 221 5.408 -7.754 4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 221 6.729 -8.255 5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 221 4.683 -10.030 5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 221 4.396 -9.838 4.130 1.00 0.00 H new ATOM 0 HE ARG A 221 6.383 -11.540 5.126 1.00 0.00 H new ATOM 0 HH11 ARG A 221 6.234 -8.718 3.065 1.00 0.00 H new ATOM 0 HH12 ARG A 221 7.759 -9.087 2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 221 8.348 -11.976 4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 221 8.940 -10.907 2.837 1.00 0.00 H new ATOM 820 N ALA A 222 5.229 -5.636 8.611 1.00 0.00 N ATOM 821 CA ALA A 222 4.599 -4.995 9.795 1.00 0.00 C ATOM 822 C ALA A 222 4.677 -3.460 9.702 1.00 0.00 C ATOM 823 O ALA A 222 3.754 -2.766 10.078 1.00 0.00 O ATOM 824 CB ALA A 222 5.314 -5.473 11.058 1.00 0.00 C ATOM 0 H ALA A 222 6.018 -6.247 8.821 1.00 0.00 H new ATOM 0 HA ALA A 222 3.547 -5.277 9.829 1.00 0.00 H new ATOM 0 HB1 ALA A 222 4.858 -5.008 11.932 1.00 0.00 H new ATOM 0 HB2 ALA A 222 5.227 -6.557 11.137 1.00 0.00 H new ATOM 0 HB3 ALA A 222 6.367 -5.196 11.007 1.00 0.00 H new ATOM 830 N THR A 223 5.779 -2.922 9.245 1.00 0.00 N ATOM 831 CA THR A 223 5.914 -1.432 9.175 1.00 0.00 C ATOM 832 C THR A 223 4.936 -0.831 8.161 1.00 0.00 C ATOM 833 O THR A 223 4.365 0.219 8.384 1.00 0.00 O ATOM 834 CB THR A 223 7.336 -1.083 8.738 1.00 0.00 C ATOM 835 OG1 THR A 223 8.261 -1.609 9.680 1.00 0.00 O ATOM 836 CG2 THR A 223 7.483 0.440 8.653 1.00 0.00 C ATOM 0 H THR A 223 6.590 -3.447 8.918 1.00 0.00 H new ATOM 0 HA THR A 223 5.693 -1.023 10.161 1.00 0.00 H new ATOM 0 HB THR A 223 7.538 -1.516 7.758 1.00 0.00 H new ATOM 0 HG1 THR A 223 9.174 -1.388 9.401 1.00 0.00 H new ATOM 0 HG21 THR A 223 8.497 0.691 8.341 1.00 0.00 H new ATOM 0 HG22 THR A 223 6.772 0.834 7.927 1.00 0.00 H new ATOM 0 HG23 THR A 223 7.285 0.880 9.630 1.00 0.00 H new ATOM 844 N ALA A 224 4.751 -1.474 7.045 1.00 0.00 N ATOM 845 CA ALA A 224 3.833 -0.927 6.011 1.00 0.00 C ATOM 846 C ALA A 224 2.407 -0.828 6.568 1.00 0.00 C ATOM 847 O ALA A 224 1.795 0.217 6.531 1.00 0.00 O ATOM 848 CB ALA A 224 3.854 -1.863 4.805 1.00 0.00 C ATOM 0 H ALA A 224 5.198 -2.358 6.803 1.00 0.00 H new ATOM 0 HA ALA A 224 4.158 0.071 5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.186 -1.479 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 224 4.868 -1.924 4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 224 3.523 -2.856 5.109 1.00 0.00 H new ATOM 854 N PHE A 225 1.880 -1.905 7.090 1.00 0.00 N ATOM 855 CA PHE A 225 0.488 -1.883 7.645 1.00 0.00 C ATOM 856 C PHE A 225 0.373 -0.866 8.784 1.00 0.00 C ATOM 857 O PHE A 225 -0.613 -0.167 8.894 1.00 0.00 O ATOM 858 CB PHE A 225 0.145 -3.278 8.181 1.00 0.00 C ATOM 859 CG PHE A 225 -1.257 -3.284 8.760 1.00 0.00 C ATOM 860 CD1 PHE A 225 -2.365 -3.052 7.931 1.00 0.00 C ATOM 861 CD2 PHE A 225 -1.451 -3.531 10.128 1.00 0.00 C ATOM 862 CE1 PHE A 225 -3.658 -3.070 8.471 1.00 0.00 C ATOM 863 CE2 PHE A 225 -2.744 -3.545 10.663 1.00 0.00 C ATOM 864 CZ PHE A 225 -3.846 -3.316 9.835 1.00 0.00 C ATOM 0 H PHE A 225 2.355 -2.805 7.157 1.00 0.00 H new ATOM 0 HA PHE A 225 -0.203 -1.597 6.852 1.00 0.00 H new ATOM 0 HB2 PHE A 225 0.219 -4.012 7.379 1.00 0.00 H new ATOM 0 HB3 PHE A 225 0.864 -3.569 8.947 1.00 0.00 H new ATOM 0 HD1 PHE A 225 -2.222 -2.860 6.878 1.00 0.00 H new ATOM 0 HD2 PHE A 225 -0.601 -3.711 10.769 1.00 0.00 H new ATOM 0 HE1 PHE A 225 -4.511 -2.894 7.833 1.00 0.00 H new ATOM 0 HE2 PHE A 225 -2.890 -3.733 11.716 1.00 0.00 H new ATOM 0 HZ PHE A 225 -4.844 -3.329 10.249 1.00 0.00 H new ATOM 874 N ARG A 226 1.352 -0.766 9.637 1.00 0.00 N ATOM 875 CA ARG A 226 1.238 0.220 10.746 1.00 0.00 C ATOM 876 C ARG A 226 1.083 1.612 10.138 1.00 0.00 C ATOM 877 O ARG A 226 0.244 2.391 10.540 1.00 0.00 O ATOM 878 CB ARG A 226 2.507 0.181 11.600 1.00 0.00 C ATOM 879 CG ARG A 226 2.330 1.076 12.831 1.00 0.00 C ATOM 880 CD ARG A 226 3.606 1.026 13.669 1.00 0.00 C ATOM 881 NE ARG A 226 3.384 1.706 14.991 1.00 0.00 N ATOM 882 CZ ARG A 226 3.058 2.969 15.070 1.00 0.00 C ATOM 883 NH1 ARG A 226 3.035 3.709 13.996 1.00 0.00 N ATOM 884 NH2 ARG A 226 2.802 3.508 16.234 1.00 0.00 N ATOM 0 H ARG A 226 2.212 -1.314 9.617 1.00 0.00 H new ATOM 0 HA ARG A 226 0.378 -0.019 11.372 1.00 0.00 H new ATOM 0 HB2 ARG A 226 2.717 -0.843 11.910 1.00 0.00 H new ATOM 0 HB3 ARG A 226 3.362 0.518 11.014 1.00 0.00 H new ATOM 0 HG2 ARG A 226 2.121 2.101 12.525 1.00 0.00 H new ATOM 0 HG3 ARG A 226 1.478 0.740 13.422 1.00 0.00 H new ATOM 0 HD2 ARG A 226 3.904 -0.010 13.830 1.00 0.00 H new ATOM 0 HD3 ARG A 226 4.421 1.513 13.133 1.00 0.00 H new ATOM 0 HE ARG A 226 3.491 1.167 15.850 1.00 0.00 H new ATOM 0 HH11 ARG A 226 3.272 3.302 13.091 1.00 0.00 H new ATOM 0 HH12 ARG A 226 2.780 4.694 14.061 1.00 0.00 H new ATOM 0 HH21 ARG A 226 2.857 2.942 17.081 1.00 0.00 H new ATOM 0 HH22 ARG A 226 2.548 4.494 16.295 1.00 0.00 H new ATOM 898 N ARG A 227 1.879 1.922 9.154 1.00 0.00 N ATOM 899 CA ARG A 227 1.776 3.254 8.498 1.00 0.00 C ATOM 900 C ARG A 227 0.437 3.376 7.760 1.00 0.00 C ATOM 901 O ARG A 227 -0.190 4.417 7.770 1.00 0.00 O ATOM 902 CB ARG A 227 2.947 3.443 7.525 1.00 0.00 C ATOM 903 CG ARG A 227 2.815 4.789 6.797 1.00 0.00 C ATOM 904 CD ARG A 227 4.167 5.197 6.202 1.00 0.00 C ATOM 905 NE ARG A 227 4.708 4.100 5.348 1.00 0.00 N ATOM 906 CZ ARG A 227 5.702 4.347 4.542 1.00 0.00 C ATOM 907 NH1 ARG A 227 6.180 5.559 4.465 1.00 0.00 N ATOM 908 NH2 ARG A 227 6.217 3.393 3.813 1.00 0.00 N ATOM 0 H ARG A 227 2.599 1.308 8.775 1.00 0.00 H new ATOM 0 HA ARG A 227 1.822 4.034 9.258 1.00 0.00 H new ATOM 0 HB2 ARG A 227 3.891 3.405 8.068 1.00 0.00 H new ATOM 0 HB3 ARG A 227 2.963 2.629 6.801 1.00 0.00 H new ATOM 0 HG2 ARG A 227 2.068 4.713 6.006 1.00 0.00 H new ATOM 0 HG3 ARG A 227 2.468 5.555 7.491 1.00 0.00 H new ATOM 0 HD2 ARG A 227 4.053 6.105 5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 227 4.871 5.425 7.003 1.00 0.00 H new ATOM 0 HE ARG A 227 4.304 3.165 5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 227 5.776 6.304 5.033 1.00 0.00 H new ATOM 0 HH12 ARG A 227 6.958 5.762 3.837 1.00 0.00 H new ATOM 0 HH21 ARG A 227 5.841 2.447 3.872 1.00 0.00 H new ATOM 0 HH22 ARG A 227 6.995 3.595 3.185 1.00 0.00 H new ATOM 922 N ILE A 228 -0.006 2.327 7.115 1.00 0.00 N ATOM 923 CA ILE A 228 -1.294 2.396 6.363 1.00 0.00 C ATOM 924 C ILE A 228 -2.439 2.739 7.331 1.00 0.00 C ATOM 925 O ILE A 228 -3.278 3.571 7.046 1.00 0.00 O ATOM 926 CB ILE A 228 -1.579 1.017 5.743 1.00 0.00 C ATOM 927 CG1 ILE A 228 -0.530 0.668 4.655 1.00 0.00 C ATOM 928 CG2 ILE A 228 -2.990 1.007 5.143 1.00 0.00 C ATOM 929 CD1 ILE A 228 -0.952 1.192 3.277 1.00 0.00 C ATOM 0 H ILE A 228 0.469 1.425 7.077 1.00 0.00 H new ATOM 0 HA ILE A 228 -1.223 3.159 5.588 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.512 0.262 6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.435 1.096 4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.398 -0.413 4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.192 0.030 4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.720 1.210 5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -3.063 1.774 4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -0.193 0.929 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -1.904 0.744 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -1.059 2.276 3.317 1.00 0.00 H new ATOM 941 N GLN A 229 -2.482 2.106 8.467 1.00 0.00 N ATOM 942 CA GLN A 229 -3.570 2.389 9.448 1.00 0.00 C ATOM 943 C GLN A 229 -3.423 3.801 10.030 1.00 0.00 C ATOM 944 O GLN A 229 -4.396 4.444 10.376 1.00 0.00 O ATOM 945 CB GLN A 229 -3.505 1.362 10.576 1.00 0.00 C ATOM 946 CG GLN A 229 -4.613 1.655 11.589 1.00 0.00 C ATOM 947 CD GLN A 229 -4.682 0.522 12.613 1.00 0.00 C ATOM 948 OE1 GLN A 229 -5.434 -0.416 12.443 1.00 0.00 O ATOM 949 NE2 GLN A 229 -3.916 0.561 13.667 1.00 0.00 N ATOM 0 H GLN A 229 -1.808 1.400 8.763 1.00 0.00 H new ATOM 0 HA GLN A 229 -4.531 2.325 8.938 1.00 0.00 H new ATOM 0 HB2 GLN A 229 -3.620 0.355 10.174 1.00 0.00 H new ATOM 0 HB3 GLN A 229 -2.531 1.401 11.063 1.00 0.00 H new ATOM 0 HG2 GLN A 229 -4.419 2.602 12.092 1.00 0.00 H new ATOM 0 HG3 GLN A 229 -5.570 1.756 11.078 1.00 0.00 H new ATOM 0 HE21 GLN A 229 -3.284 1.349 13.810 1.00 0.00 H new ATOM 0 HE22 GLN A 229 -3.948 -0.197 14.349 1.00 0.00 H new ATOM 958 N GLN A 230 -2.221 4.277 10.165 1.00 0.00 N ATOM 959 CA GLN A 230 -2.009 5.633 10.751 1.00 0.00 C ATOM 960 C GLN A 230 -2.350 6.720 9.721 1.00 0.00 C ATOM 961 O GLN A 230 -2.246 7.897 10.005 1.00 0.00 O ATOM 962 CB GLN A 230 -0.539 5.761 11.167 1.00 0.00 C ATOM 963 CG GLN A 230 -0.264 4.851 12.369 1.00 0.00 C ATOM 964 CD GLN A 230 -0.958 5.410 13.610 1.00 0.00 C ATOM 965 OE1 GLN A 230 -0.675 6.515 14.031 1.00 0.00 O ATOM 966 NE2 GLN A 230 -1.861 4.692 14.216 1.00 0.00 N ATOM 0 H GLN A 230 -1.369 3.786 9.894 1.00 0.00 H new ATOM 0 HA GLN A 230 -2.659 5.761 11.617 1.00 0.00 H new ATOM 0 HB2 GLN A 230 0.110 5.488 10.335 1.00 0.00 H new ATOM 0 HB3 GLN A 230 -0.311 6.796 11.422 1.00 0.00 H new ATOM 0 HG2 GLN A 230 -0.623 3.843 12.163 1.00 0.00 H new ATOM 0 HG3 GLN A 230 0.809 4.778 12.543 1.00 0.00 H new ATOM 0 HE21 GLN A 230 -2.098 3.765 13.862 1.00 0.00 H new ATOM 0 HE22 GLN A 230 -2.331 5.057 15.044 1.00 0.00 H new ATOM 975 N LEU A 231 -2.757 6.352 8.530 1.00 0.00 N ATOM 976 CA LEU A 231 -3.091 7.398 7.515 1.00 0.00 C ATOM 977 C LEU A 231 -4.316 8.181 7.993 1.00 0.00 C ATOM 978 O LEU A 231 -4.244 9.367 8.253 1.00 0.00 O ATOM 979 CB LEU A 231 -3.428 6.730 6.173 1.00 0.00 C ATOM 980 CG LEU A 231 -2.205 5.981 5.614 1.00 0.00 C ATOM 981 CD1 LEU A 231 -2.620 5.174 4.379 1.00 0.00 C ATOM 982 CD2 LEU A 231 -1.108 6.976 5.210 1.00 0.00 C ATOM 0 H LEU A 231 -2.871 5.387 8.220 1.00 0.00 H new ATOM 0 HA LEU A 231 -2.238 8.065 7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -4.257 6.035 6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -3.756 7.485 5.458 1.00 0.00 H new ATOM 0 HG LEU A 231 -1.821 5.315 6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -1.754 4.644 3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -3.390 4.455 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -3.011 5.849 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 231 -0.250 6.431 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -1.492 7.650 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -0.802 7.554 6.082 1.00 0.00 H new ATOM 994 N ASP A 232 -5.435 7.529 8.129 1.00 0.00 N ATOM 995 CA ASP A 232 -6.648 8.238 8.606 1.00 0.00 C ATOM 996 C ASP A 232 -7.852 7.291 8.544 1.00 0.00 C ATOM 997 O ASP A 232 -7.933 6.421 7.700 1.00 0.00 O ATOM 998 CB ASP A 232 -6.893 9.486 7.716 1.00 0.00 C ATOM 999 CG ASP A 232 -6.520 10.768 8.473 1.00 0.00 C ATOM 1000 OD1 ASP A 232 -7.106 11.007 9.518 1.00 0.00 O ATOM 1001 OD2 ASP A 232 -5.658 11.488 7.990 1.00 0.00 O ATOM 0 H ASP A 232 -5.560 6.536 7.930 1.00 0.00 H new ATOM 0 HA ASP A 232 -6.509 8.560 9.638 1.00 0.00 H new ATOM 0 HB2 ASP A 232 -6.302 9.411 6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 232 -7.940 9.526 7.415 1.00 0.00 H new ATOM 1006 N GLU A 233 -8.805 7.482 9.411 1.00 0.00 N ATOM 1007 CA GLU A 233 -10.023 6.628 9.382 1.00 0.00 C ATOM 1008 C GLU A 233 -10.684 6.812 8.021 1.00 0.00 C ATOM 1009 O GLU A 233 -11.184 5.879 7.423 1.00 0.00 O ATOM 1010 CB GLU A 233 -10.993 7.067 10.486 1.00 0.00 C ATOM 1011 CG GLU A 233 -12.248 6.189 10.456 1.00 0.00 C ATOM 1012 CD GLU A 233 -13.197 6.625 11.570 1.00 0.00 C ATOM 1013 OE1 GLU A 233 -12.804 6.536 12.722 1.00 0.00 O ATOM 1014 OE2 GLU A 233 -14.296 7.050 11.254 1.00 0.00 O ATOM 0 H GLU A 233 -8.793 8.195 10.141 1.00 0.00 H new ATOM 0 HA GLU A 233 -9.759 5.583 9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -10.508 6.991 11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -11.267 8.113 10.347 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -12.742 6.274 9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -11.976 5.141 10.584 1.00 0.00 H new ATOM 1021 N ALA A 234 -10.681 8.024 7.531 1.00 0.00 N ATOM 1022 CA ALA A 234 -11.297 8.306 6.202 1.00 0.00 C ATOM 1023 C ALA A 234 -10.577 7.479 5.142 1.00 0.00 C ATOM 1024 O ALA A 234 -11.115 7.181 4.097 1.00 0.00 O ATOM 1025 CB ALA A 234 -11.141 9.792 5.857 1.00 0.00 C ATOM 0 H ALA A 234 -10.276 8.835 7.998 1.00 0.00 H new ATOM 0 HA ALA A 234 -12.356 8.051 6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 234 -11.593 9.989 4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 234 -11.636 10.396 6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 234 -10.082 10.048 5.823 1.00 0.00 H new ATOM 1031 N MET A 235 -9.354 7.122 5.399 1.00 0.00 N ATOM 1032 CA MET A 235 -8.588 6.325 4.407 1.00 0.00 C ATOM 1033 C MET A 235 -9.308 5.008 4.131 1.00 0.00 C ATOM 1034 O MET A 235 -9.358 4.542 3.011 1.00 0.00 O ATOM 1035 CB MET A 235 -7.192 6.042 4.953 1.00 0.00 C ATOM 1036 CG MET A 235 -6.295 5.479 3.847 1.00 0.00 C ATOM 1037 SD MET A 235 -6.673 3.729 3.565 1.00 0.00 S ATOM 1038 CE MET A 235 -6.088 3.084 5.155 1.00 0.00 C ATOM 0 H MET A 235 -8.850 7.348 6.256 1.00 0.00 H new ATOM 0 HA MET A 235 -8.508 6.888 3.477 1.00 0.00 H new ATOM 0 HB2 MET A 235 -6.757 6.958 5.352 1.00 0.00 H new ATOM 0 HB3 MET A 235 -7.253 5.332 5.778 1.00 0.00 H new ATOM 0 HG2 MET A 235 -6.443 6.043 2.926 1.00 0.00 H new ATOM 0 HG3 MET A 235 -5.247 5.592 4.126 1.00 0.00 H new ATOM 0 HE1 MET A 235 -5.586 2.129 4.998 1.00 0.00 H new ATOM 0 HE2 MET A 235 -5.389 3.792 5.600 1.00 0.00 H new ATOM 0 HE3 MET A 235 -6.936 2.942 5.824 1.00 0.00 H new ATOM 1048 N VAL A 236 -9.861 4.389 5.133 1.00 0.00 N ATOM 1049 CA VAL A 236 -10.565 3.106 4.885 1.00 0.00 C ATOM 1050 C VAL A 236 -11.697 3.379 3.892 1.00 0.00 C ATOM 1051 O VAL A 236 -11.939 2.616 2.976 1.00 0.00 O ATOM 1052 CB VAL A 236 -11.117 2.573 6.205 1.00 0.00 C ATOM 1053 CG1 VAL A 236 -12.044 1.384 5.937 1.00 0.00 C ATOM 1054 CG2 VAL A 236 -9.948 2.122 7.088 1.00 0.00 C ATOM 0 H VAL A 236 -9.856 4.711 6.101 1.00 0.00 H new ATOM 0 HA VAL A 236 -9.889 2.358 4.472 1.00 0.00 H new ATOM 0 HB VAL A 236 -11.681 3.358 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -12.435 1.007 6.882 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -12.871 1.703 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -11.486 0.594 5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -10.333 1.740 8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -9.390 1.336 6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -9.289 2.969 7.280 1.00 0.00 H new ATOM 1064 N VAL A 237 -12.363 4.491 4.051 1.00 0.00 N ATOM 1065 CA VAL A 237 -13.457 4.867 3.109 1.00 0.00 C ATOM 1066 C VAL A 237 -12.827 5.101 1.733 1.00 0.00 C ATOM 1067 O VAL A 237 -13.435 4.877 0.709 1.00 0.00 O ATOM 1068 CB VAL A 237 -14.149 6.154 3.601 1.00 0.00 C ATOM 1069 CG1 VAL A 237 -15.141 6.671 2.553 1.00 0.00 C ATOM 1070 CG2 VAL A 237 -14.907 5.864 4.897 1.00 0.00 C ATOM 0 H VAL A 237 -12.194 5.162 4.801 1.00 0.00 H new ATOM 0 HA VAL A 237 -14.205 4.076 3.053 1.00 0.00 H new ATOM 0 HB VAL A 237 -13.384 6.911 3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 237 -15.618 7.580 2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 237 -14.610 6.889 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 237 -15.901 5.912 2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 237 -15.396 6.774 5.244 1.00 0.00 H new ATOM 0 HG22 VAL A 237 -15.658 5.095 4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 237 -14.208 5.515 5.657 1.00 0.00 H new ATOM 1080 N ALA A 238 -11.600 5.551 1.697 1.00 0.00 N ATOM 1081 CA ALA A 238 -10.942 5.800 0.380 1.00 0.00 C ATOM 1082 C ALA A 238 -10.896 4.494 -0.416 1.00 0.00 C ATOM 1083 O ALA A 238 -11.139 4.473 -1.606 1.00 0.00 O ATOM 1084 CB ALA A 238 -9.506 6.293 0.612 1.00 0.00 C ATOM 0 H ALA A 238 -11.028 5.756 2.516 1.00 0.00 H new ATOM 0 HA ALA A 238 -11.506 6.552 -0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 238 -9.024 6.475 -0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 238 -9.527 7.218 1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 238 -8.946 5.536 1.161 1.00 0.00 H new