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 192 TYR OH : rot 150:sc= 0.251 USER MOD Set 1.2: A 197 LYS NZ :NH3+ -135:sc= 0.0822 (180deg=-0.72) USER MOD Single : A 186 GLN : amide:sc= -4.04! C(o=-4!,f=-7.1!) USER MOD Single : A 202 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 203 CYS SG : rot 180:sc= 0 USER MOD Single : A 204 TYR OH : rot -149:sc= -1.53! USER MOD Single : A 214 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-3.1!) 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= -0.0163 USER MOD Single : A 229 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.66) USER MOD Single : A 230 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.24) USER MOD Single : A 235 MET CE :methyl -145:sc= -0.651 (180deg=-3.03!) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 181 12.418 2.276 -1.183 1.00 0.00 N ATOM 136 CA ASP A 181 12.083 2.891 -2.493 1.00 0.00 C ATOM 137 C ASP A 181 10.670 3.463 -2.434 1.00 0.00 C ATOM 138 O ASP A 181 9.703 2.742 -2.304 1.00 0.00 O ATOM 139 CB ASP A 181 12.141 1.831 -3.592 1.00 0.00 C ATOM 140 CG ASP A 181 13.581 1.358 -3.809 1.00 0.00 C ATOM 141 OD1 ASP A 181 14.017 0.485 -3.075 1.00 0.00 O ATOM 142 OD2 ASP A 181 14.220 1.870 -4.713 1.00 0.00 O ATOM 0 HA ASP A 181 12.799 3.683 -2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 181 11.511 0.984 -3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 181 11.743 2.240 -4.521 1.00 0.00 H new ATOM 147 N GLU A 182 10.552 4.754 -2.534 1.00 0.00 N ATOM 148 CA GLU A 182 9.217 5.404 -2.497 1.00 0.00 C ATOM 149 C GLU A 182 8.370 4.944 -3.680 1.00 0.00 C ATOM 150 O GLU A 182 7.164 4.845 -3.593 1.00 0.00 O ATOM 151 CB GLU A 182 9.400 6.921 -2.549 1.00 0.00 C ATOM 152 CG GLU A 182 10.072 7.321 -3.873 1.00 0.00 C ATOM 153 CD GLU A 182 10.453 8.808 -3.828 1.00 0.00 C ATOM 154 OE1 GLU A 182 9.606 9.608 -3.461 1.00 0.00 O ATOM 155 OE2 GLU A 182 11.585 9.120 -4.162 1.00 0.00 O ATOM 0 H GLU A 182 11.337 5.396 -2.642 1.00 0.00 H new ATOM 0 HA GLU A 182 8.705 5.125 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 182 8.433 7.416 -2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 182 10.009 7.252 -1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 182 10.961 6.712 -4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 182 9.396 7.133 -4.707 1.00 0.00 H new ATOM 162 N ASP A 183 8.990 4.667 -4.788 1.00 0.00 N ATOM 163 CA ASP A 183 8.214 4.227 -5.973 1.00 0.00 C ATOM 164 C ASP A 183 7.462 2.952 -5.604 1.00 0.00 C ATOM 165 O ASP A 183 6.320 2.762 -5.971 1.00 0.00 O ATOM 166 CB ASP A 183 9.164 3.947 -7.145 1.00 0.00 C ATOM 167 CG ASP A 183 9.727 5.266 -7.697 1.00 0.00 C ATOM 168 OD1 ASP A 183 8.971 5.998 -8.321 1.00 0.00 O ATOM 169 OD2 ASP A 183 10.903 5.519 -7.494 1.00 0.00 O ATOM 0 H ASP A 183 9.999 4.726 -4.924 1.00 0.00 H new ATOM 0 HA ASP A 183 7.513 5.006 -6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 183 9.980 3.304 -6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 183 8.634 3.411 -7.933 1.00 0.00 H new ATOM 174 N ALA A 184 8.085 2.077 -4.871 1.00 0.00 N ATOM 175 CA ALA A 184 7.390 0.823 -4.481 1.00 0.00 C ATOM 176 C ALA A 184 6.286 1.154 -3.479 1.00 0.00 C ATOM 177 O ALA A 184 5.217 0.579 -3.509 1.00 0.00 O ATOM 178 CB ALA A 184 8.379 -0.149 -3.836 1.00 0.00 C ATOM 0 H ALA A 184 9.040 2.174 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 184 6.963 0.359 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 184 7.858 -1.064 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 184 9.172 -0.386 -4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 184 8.813 0.310 -2.948 1.00 0.00 H new ATOM 184 N TRP A 185 6.542 2.063 -2.580 1.00 0.00 N ATOM 185 CA TRP A 185 5.515 2.427 -1.571 1.00 0.00 C ATOM 186 C TRP A 185 4.261 2.958 -2.272 1.00 0.00 C ATOM 187 O TRP A 185 3.161 2.525 -1.996 1.00 0.00 O ATOM 188 CB TRP A 185 6.096 3.483 -0.644 1.00 0.00 C ATOM 189 CG TRP A 185 5.101 3.811 0.423 1.00 0.00 C ATOM 190 CD1 TRP A 185 4.503 5.014 0.583 1.00 0.00 C ATOM 191 CD2 TRP A 185 4.576 2.944 1.478 1.00 0.00 C ATOM 192 NE1 TRP A 185 3.650 4.948 1.673 1.00 0.00 N ATOM 193 CE2 TRP A 185 3.657 3.692 2.256 1.00 0.00 C ATOM 194 CE3 TRP A 185 4.804 1.596 1.835 1.00 0.00 C ATOM 195 CZ2 TRP A 185 2.987 3.127 3.347 1.00 0.00 C ATOM 196 CZ3 TRP A 185 4.131 1.029 2.932 1.00 0.00 C ATOM 197 CH2 TRP A 185 3.226 1.792 3.683 1.00 0.00 C ATOM 0 H TRP A 185 7.423 2.570 -2.502 1.00 0.00 H new ATOM 0 HA TRP A 185 5.234 1.549 -0.989 1.00 0.00 H new ATOM 0 HB2 TRP A 185 7.020 3.119 -0.195 1.00 0.00 H new ATOM 0 HB3 TRP A 185 6.348 4.380 -1.210 1.00 0.00 H new ATOM 0 HD1 TRP A 185 4.664 5.883 -0.037 1.00 0.00 H new ATOM 0 HE1 TRP A 185 3.085 5.730 2.006 1.00 0.00 H new ATOM 0 HE3 TRP A 185 5.498 0.998 1.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 2.291 3.718 3.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 4.313 -0.002 3.198 1.00 0.00 H new ATOM 0 HH2 TRP A 185 2.713 1.347 4.523 1.00 0.00 H new ATOM 208 N GLN A 186 4.418 3.874 -3.195 1.00 0.00 N ATOM 209 CA GLN A 186 3.234 4.412 -3.927 1.00 0.00 C ATOM 210 C GLN A 186 2.552 3.251 -4.639 1.00 0.00 C ATOM 211 O GLN A 186 1.342 3.162 -4.689 1.00 0.00 O ATOM 212 CB GLN A 186 3.679 5.462 -4.966 1.00 0.00 C ATOM 213 CG GLN A 186 3.959 6.813 -4.290 1.00 0.00 C ATOM 214 CD GLN A 186 5.319 6.789 -3.580 1.00 0.00 C ATOM 215 OE1 GLN A 186 6.348 6.956 -4.204 1.00 0.00 O ATOM 216 NE2 GLN A 186 5.371 6.586 -2.291 1.00 0.00 N ATOM 0 H GLN A 186 5.316 4.271 -3.472 1.00 0.00 H new ATOM 0 HA GLN A 186 2.550 4.889 -3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 186 4.575 5.115 -5.480 1.00 0.00 H new ATOM 0 HB3 GLN A 186 2.904 5.583 -5.723 1.00 0.00 H new ATOM 0 HG2 GLN A 186 3.945 7.608 -5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 186 3.171 7.036 -3.571 1.00 0.00 H new ATOM 0 HE21 GLN A 186 4.510 6.445 -1.762 1.00 0.00 H new ATOM 0 HE22 GLN A 186 6.272 6.568 -1.813 1.00 0.00 H new ATOM 225 N PHE A 187 3.319 2.356 -5.191 1.00 0.00 N ATOM 226 CA PHE A 187 2.710 1.201 -5.898 1.00 0.00 C ATOM 227 C PHE A 187 1.848 0.418 -4.908 1.00 0.00 C ATOM 228 O PHE A 187 0.725 0.052 -5.191 1.00 0.00 O ATOM 229 CB PHE A 187 3.829 0.304 -6.425 1.00 0.00 C ATOM 230 CG PHE A 187 3.287 -0.644 -7.464 1.00 0.00 C ATOM 231 CD1 PHE A 187 2.644 -1.818 -7.076 1.00 0.00 C ATOM 232 CD2 PHE A 187 3.434 -0.338 -8.823 1.00 0.00 C ATOM 233 CE1 PHE A 187 2.146 -2.691 -8.046 1.00 0.00 C ATOM 234 CE2 PHE A 187 2.938 -1.208 -9.793 1.00 0.00 C ATOM 235 CZ PHE A 187 2.293 -2.387 -9.407 1.00 0.00 C ATOM 0 H PHE A 187 4.339 2.375 -5.183 1.00 0.00 H new ATOM 0 HA PHE A 187 2.093 1.544 -6.729 1.00 0.00 H new ATOM 0 HB2 PHE A 187 4.622 0.914 -6.857 1.00 0.00 H new ATOM 0 HB3 PHE A 187 4.272 -0.259 -5.603 1.00 0.00 H new ATOM 0 HD1 PHE A 187 2.531 -2.052 -6.028 1.00 0.00 H new ATOM 0 HD2 PHE A 187 3.932 0.573 -9.120 1.00 0.00 H new ATOM 0 HE1 PHE A 187 1.647 -3.601 -7.747 1.00 0.00 H new ATOM 0 HE2 PHE A 187 3.052 -0.972 -10.841 1.00 0.00 H new ATOM 0 HZ PHE A 187 1.908 -3.063 -10.156 1.00 0.00 H new ATOM 245 N LEU A 188 2.367 0.157 -3.746 1.00 0.00 N ATOM 246 CA LEU A 188 1.577 -0.602 -2.741 1.00 0.00 C ATOM 247 C LEU A 188 0.283 0.152 -2.412 1.00 0.00 C ATOM 248 O LEU A 188 -0.793 -0.412 -2.412 1.00 0.00 O ATOM 249 CB LEU A 188 2.415 -0.757 -1.470 1.00 0.00 C ATOM 250 CG LEU A 188 1.609 -1.460 -0.365 1.00 0.00 C ATOM 251 CD1 LEU A 188 1.130 -2.836 -0.853 1.00 0.00 C ATOM 252 CD2 LEU A 188 2.494 -1.628 0.884 1.00 0.00 C ATOM 0 H LEU A 188 3.302 0.435 -3.447 1.00 0.00 H new ATOM 0 HA LEU A 188 1.321 -1.582 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 188 3.315 -1.331 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 188 2.740 0.223 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 188 0.738 -0.854 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 188 0.561 -3.324 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.497 -2.710 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 188 1.992 -3.451 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 188 1.925 -2.126 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 188 3.368 -2.229 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 188 2.816 -0.648 1.236 1.00 0.00 H new ATOM 264 N ILE A 189 0.379 1.418 -2.107 1.00 0.00 N ATOM 265 CA ILE A 189 -0.848 2.196 -1.755 1.00 0.00 C ATOM 266 C ILE A 189 -1.762 2.356 -2.973 1.00 0.00 C ATOM 267 O ILE A 189 -2.971 2.346 -2.846 1.00 0.00 O ATOM 268 CB ILE A 189 -0.468 3.559 -1.160 1.00 0.00 C ATOM 269 CG1 ILE A 189 0.186 3.322 0.212 1.00 0.00 C ATOM 270 CG2 ILE A 189 -1.735 4.417 -0.994 1.00 0.00 C ATOM 271 CD1 ILE A 189 0.672 4.646 0.817 1.00 0.00 C ATOM 0 H ILE A 189 1.250 1.948 -2.086 1.00 0.00 H new ATOM 0 HA ILE A 189 -1.402 1.641 -0.998 1.00 0.00 H new ATOM 0 HB ILE A 189 0.227 4.080 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 189 -0.530 2.850 0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 189 1.025 2.635 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 189 -1.466 5.385 -0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 189 -2.205 4.563 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 189 -2.432 3.911 -0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 189 1.131 4.456 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 189 1.405 5.103 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 189 -0.174 5.321 0.942 1.00 0.00 H new ATOM 283 N ALA A 190 -1.217 2.524 -4.146 1.00 0.00 N ATOM 284 CA ALA A 190 -2.097 2.701 -5.342 1.00 0.00 C ATOM 285 C ALA A 190 -2.990 1.470 -5.515 1.00 0.00 C ATOM 286 O ALA A 190 -4.164 1.592 -5.784 1.00 0.00 O ATOM 287 CB ALA A 190 -1.240 2.894 -6.604 1.00 0.00 C ATOM 0 H ALA A 190 -0.214 2.547 -4.330 1.00 0.00 H new ATOM 0 HA ALA A 190 -2.720 3.583 -5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -1.890 3.022 -7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -0.614 3.778 -6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -0.608 2.019 -6.752 1.00 0.00 H new ATOM 293 N ASP A 191 -2.457 0.295 -5.353 1.00 0.00 N ATOM 294 CA ASP A 191 -3.299 -0.924 -5.498 1.00 0.00 C ATOM 295 C ASP A 191 -4.260 -1.018 -4.308 1.00 0.00 C ATOM 296 O ASP A 191 -5.402 -1.410 -4.441 1.00 0.00 O ATOM 297 CB ASP A 191 -2.404 -2.160 -5.525 1.00 0.00 C ATOM 298 CG ASP A 191 -1.582 -2.178 -6.814 1.00 0.00 C ATOM 299 OD1 ASP A 191 -1.963 -1.490 -7.745 1.00 0.00 O ATOM 300 OD2 ASP A 191 -0.584 -2.881 -6.849 1.00 0.00 O ATOM 0 H ASP A 191 -1.477 0.124 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 191 -3.868 -0.867 -6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 191 -1.741 -2.158 -4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 191 -3.012 -3.062 -5.459 1.00 0.00 H new ATOM 305 N TYR A 192 -3.780 -0.676 -3.143 1.00 0.00 N ATOM 306 CA TYR A 192 -4.617 -0.746 -1.909 1.00 0.00 C ATOM 307 C TYR A 192 -5.853 0.159 -2.038 1.00 0.00 C ATOM 308 O TYR A 192 -6.926 -0.170 -1.564 1.00 0.00 O ATOM 309 CB TYR A 192 -3.779 -0.274 -0.713 1.00 0.00 C ATOM 310 CG TYR A 192 -4.543 -0.524 0.562 1.00 0.00 C ATOM 311 CD1 TYR A 192 -4.494 -1.787 1.168 1.00 0.00 C ATOM 312 CD2 TYR A 192 -5.300 0.502 1.134 1.00 0.00 C ATOM 313 CE1 TYR A 192 -5.205 -2.022 2.353 1.00 0.00 C ATOM 314 CE2 TYR A 192 -6.007 0.273 2.316 1.00 0.00 C ATOM 315 CZ TYR A 192 -5.961 -0.988 2.929 1.00 0.00 C ATOM 316 OH TYR A 192 -6.666 -1.208 4.097 1.00 0.00 O ATOM 0 H TYR A 192 -2.827 -0.345 -2.991 1.00 0.00 H new ATOM 0 HA TYR A 192 -4.947 -1.775 -1.766 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -2.827 -0.804 -0.690 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -3.550 0.787 -0.811 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -3.909 -2.578 0.722 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -5.338 1.472 0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -5.172 -2.995 2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -6.590 1.067 2.759 1.00 0.00 H new ATOM 0 HH TYR A 192 -6.728 -0.372 4.604 1.00 0.00 H new ATOM 326 N LEU A 193 -5.710 1.311 -2.639 1.00 0.00 N ATOM 327 CA LEU A 193 -6.874 2.243 -2.750 1.00 0.00 C ATOM 328 C LEU A 193 -7.816 1.804 -3.875 1.00 0.00 C ATOM 329 O LEU A 193 -8.859 2.392 -4.069 1.00 0.00 O ATOM 330 CB LEU A 193 -6.379 3.673 -3.039 1.00 0.00 C ATOM 331 CG LEU A 193 -5.513 4.194 -1.884 1.00 0.00 C ATOM 332 CD1 LEU A 193 -4.936 5.561 -2.277 1.00 0.00 C ATOM 333 CD2 LEU A 193 -6.358 4.352 -0.603 1.00 0.00 C ATOM 0 H LEU A 193 -4.842 1.647 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.415 2.223 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -5.803 3.683 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -7.232 4.335 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 193 -4.711 3.482 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -4.318 5.942 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -4.328 5.455 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.751 6.258 -2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -5.728 4.722 0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -7.167 5.060 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -6.778 3.386 -0.322 1.00 0.00 H new ATOM 345 N ARG A 194 -7.475 0.781 -4.617 1.00 0.00 N ATOM 346 CA ARG A 194 -8.381 0.340 -5.726 1.00 0.00 C ATOM 347 C ARG A 194 -9.618 -0.366 -5.140 1.00 0.00 C ATOM 348 O ARG A 194 -9.508 -1.101 -4.179 1.00 0.00 O ATOM 349 CB ARG A 194 -7.640 -0.638 -6.647 1.00 0.00 C ATOM 350 CG ARG A 194 -6.584 0.117 -7.460 1.00 0.00 C ATOM 351 CD ARG A 194 -7.252 1.033 -8.512 1.00 0.00 C ATOM 352 NE ARG A 194 -6.510 0.926 -9.805 1.00 0.00 N ATOM 353 CZ ARG A 194 -5.209 1.032 -9.844 1.00 0.00 C ATOM 354 NH1 ARG A 194 -4.547 1.366 -8.768 1.00 0.00 N ATOM 355 NH2 ARG A 194 -4.577 0.827 -10.967 1.00 0.00 N ATOM 0 H ARG A 194 -6.620 0.236 -4.507 1.00 0.00 H new ATOM 0 HA ARG A 194 -8.692 1.216 -6.295 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -7.166 -1.421 -6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -8.347 -1.128 -7.317 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -5.963 0.715 -6.792 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -5.924 -0.594 -7.957 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -8.294 0.745 -8.653 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -7.251 2.066 -8.164 1.00 0.00 H new ATOM 0 HE ARG A 194 -7.027 0.768 -10.670 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -5.046 1.544 -7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -3.531 1.449 -8.799 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -5.099 0.585 -11.809 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -3.561 0.909 -11.003 1.00 0.00 H new ATOM 369 N PRO A 195 -10.792 -0.166 -5.712 1.00 0.00 N ATOM 370 CA PRO A 195 -12.032 -0.825 -5.211 1.00 0.00 C ATOM 371 C PRO A 195 -11.795 -2.303 -4.882 1.00 0.00 C ATOM 372 O PRO A 195 -12.494 -2.890 -4.081 1.00 0.00 O ATOM 373 CB PRO A 195 -13.013 -0.690 -6.383 1.00 0.00 C ATOM 374 CG PRO A 195 -12.593 0.556 -7.094 1.00 0.00 C ATOM 375 CD PRO A 195 -11.077 0.695 -6.881 1.00 0.00 C ATOM 0 HA PRO A 195 -12.394 -0.372 -4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -12.963 -1.557 -7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -14.042 -0.616 -6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -12.831 0.495 -8.156 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -13.121 1.424 -6.699 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -10.520 0.370 -7.760 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -10.795 1.731 -6.691 1.00 0.00 H new ATOM 383 N GLU A 196 -10.820 -2.908 -5.510 1.00 0.00 N ATOM 384 CA GLU A 196 -10.543 -4.348 -5.247 1.00 0.00 C ATOM 385 C GLU A 196 -10.116 -4.523 -3.792 1.00 0.00 C ATOM 386 O GLU A 196 -10.549 -5.439 -3.121 1.00 0.00 O ATOM 387 CB GLU A 196 -9.420 -4.840 -6.171 1.00 0.00 C ATOM 388 CG GLU A 196 -9.235 -6.355 -6.004 1.00 0.00 C ATOM 389 CD GLU A 196 -10.463 -7.077 -6.549 1.00 0.00 C ATOM 390 OE1 GLU A 196 -11.181 -6.473 -7.326 1.00 0.00 O ATOM 391 OE2 GLU A 196 -10.660 -8.224 -6.185 1.00 0.00 O ATOM 0 H GLU A 196 -10.205 -2.466 -6.193 1.00 0.00 H new ATOM 0 HA GLU A 196 -11.445 -4.929 -5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -9.661 -4.606 -7.208 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -8.490 -4.323 -5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -8.341 -6.684 -6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -9.091 -6.601 -4.952 1.00 0.00 H new ATOM 398 N LYS A 197 -9.275 -3.647 -3.299 1.00 0.00 N ATOM 399 CA LYS A 197 -8.814 -3.753 -1.883 1.00 0.00 C ATOM 400 C LYS A 197 -8.553 -5.218 -1.509 1.00 0.00 C ATOM 401 O LYS A 197 -9.200 -5.753 -0.632 1.00 0.00 O ATOM 402 CB LYS A 197 -9.886 -3.189 -0.949 1.00 0.00 C ATOM 403 CG LYS A 197 -9.268 -2.922 0.437 1.00 0.00 C ATOM 404 CD LYS A 197 -10.372 -2.810 1.488 1.00 0.00 C ATOM 405 CE LYS A 197 -9.770 -2.349 2.815 1.00 0.00 C ATOM 406 NZ LYS A 197 -8.526 -3.121 3.095 1.00 0.00 N ATOM 0 H LYS A 197 -8.887 -2.860 -3.820 1.00 0.00 H new ATOM 0 HA LYS A 197 -7.889 -3.186 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -10.294 -2.266 -1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -10.714 -3.892 -0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -8.584 -3.728 0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -8.683 -2.003 0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -11.133 -2.103 1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -10.866 -3.773 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -9.547 -1.283 2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -10.489 -2.493 3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -8.525 -3.430 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -8.487 -3.954 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -7.697 -2.519 2.919 1.00 0.00 H new ATOM 420 N PRO A 198 -7.626 -5.867 -2.163 1.00 0.00 N ATOM 421 CA PRO A 198 -7.310 -7.294 -1.866 1.00 0.00 C ATOM 422 C PRO A 198 -6.805 -7.455 -0.426 1.00 0.00 C ATOM 423 O PRO A 198 -6.592 -6.487 0.278 1.00 0.00 O ATOM 424 CB PRO A 198 -6.214 -7.661 -2.892 1.00 0.00 C ATOM 425 CG PRO A 198 -5.638 -6.352 -3.331 1.00 0.00 C ATOM 426 CD PRO A 198 -6.776 -5.333 -3.242 1.00 0.00 C ATOM 0 HA PRO A 198 -8.182 -7.943 -1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 198 -5.451 -8.297 -2.443 1.00 0.00 H new ATOM 0 HB3 PRO A 198 -6.632 -8.211 -3.735 1.00 0.00 H new ATOM 0 HG2 PRO A 198 -4.804 -6.060 -2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 198 -5.253 -6.418 -4.349 1.00 0.00 H new ATOM 0 HD2 PRO A 198 -6.405 -4.336 -3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 198 -7.321 -5.256 -4.183 1.00 0.00 H new ATOM 434 N ALA A 199 -6.616 -8.669 0.011 1.00 0.00 N ATOM 435 CA ALA A 199 -6.129 -8.897 1.406 1.00 0.00 C ATOM 436 C ALA A 199 -4.722 -8.299 1.566 1.00 0.00 C ATOM 437 O ALA A 199 -3.902 -8.361 0.673 1.00 0.00 O ATOM 438 CB ALA A 199 -6.081 -10.402 1.691 1.00 0.00 C ATOM 0 H ALA A 199 -6.777 -9.515 -0.535 1.00 0.00 H new ATOM 0 HA ALA A 199 -6.808 -8.415 2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 199 -5.726 -10.569 2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 199 -7.080 -10.825 1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 199 -5.403 -10.884 0.987 1.00 0.00 H new ATOM 444 N PHE A 200 -4.451 -7.697 2.697 1.00 0.00 N ATOM 445 CA PHE A 200 -3.112 -7.071 2.923 1.00 0.00 C ATOM 446 C PHE A 200 -1.993 -8.120 2.817 1.00 0.00 C ATOM 447 O PHE A 200 -0.984 -7.891 2.180 1.00 0.00 O ATOM 448 CB PHE A 200 -3.084 -6.434 4.323 1.00 0.00 C ATOM 449 CG PHE A 200 -1.734 -5.809 4.588 1.00 0.00 C ATOM 450 CD1 PHE A 200 -1.297 -4.717 3.825 1.00 0.00 C ATOM 451 CD2 PHE A 200 -0.917 -6.324 5.604 1.00 0.00 C ATOM 452 CE1 PHE A 200 -0.046 -4.145 4.084 1.00 0.00 C ATOM 453 CE2 PHE A 200 0.328 -5.755 5.858 1.00 0.00 C ATOM 454 CZ PHE A 200 0.766 -4.666 5.102 1.00 0.00 C ATOM 0 H PHE A 200 -5.103 -7.612 3.477 1.00 0.00 H new ATOM 0 HA PHE A 200 -2.947 -6.311 2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -3.864 -5.677 4.401 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -3.297 -7.190 5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -1.923 -4.319 3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -1.254 -7.165 6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 200 0.294 -3.303 3.500 1.00 0.00 H new ATOM 0 HE2 PHE A 200 0.955 -6.156 6.640 1.00 0.00 H new ATOM 0 HZ PHE A 200 1.731 -4.224 5.301 1.00 0.00 H new ATOM 464 N ARG A 201 -2.145 -9.260 3.450 1.00 0.00 N ATOM 465 CA ARG A 201 -1.062 -10.291 3.384 1.00 0.00 C ATOM 466 C ARG A 201 -0.862 -10.771 1.944 1.00 0.00 C ATOM 467 O ARG A 201 0.253 -10.964 1.503 1.00 0.00 O ATOM 468 CB ARG A 201 -1.404 -11.478 4.306 1.00 0.00 C ATOM 469 CG ARG A 201 -2.649 -12.212 3.807 1.00 0.00 C ATOM 470 CD ARG A 201 -3.089 -13.224 4.879 1.00 0.00 C ATOM 471 NE ARG A 201 -4.158 -14.135 4.338 1.00 0.00 N ATOM 472 CZ ARG A 201 -5.295 -13.673 3.902 1.00 0.00 C ATOM 473 NH1 ARG A 201 -5.579 -12.415 4.037 1.00 0.00 N ATOM 474 NH2 ARG A 201 -6.171 -14.484 3.370 1.00 0.00 N ATOM 0 H ARG A 201 -2.962 -9.518 4.003 1.00 0.00 H new ATOM 0 HA ARG A 201 -0.130 -9.840 3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 201 -0.561 -12.168 4.346 1.00 0.00 H new ATOM 0 HB3 ARG A 201 -1.571 -11.119 5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 201 -3.451 -11.502 3.606 1.00 0.00 H new ATOM 0 HG3 ARG A 201 -2.435 -12.724 2.869 1.00 0.00 H new ATOM 0 HD2 ARG A 201 -2.232 -13.813 5.205 1.00 0.00 H new ATOM 0 HD3 ARG A 201 -3.463 -12.695 5.755 1.00 0.00 H new ATOM 0 HE ARG A 201 -3.988 -15.140 4.312 1.00 0.00 H new ATOM 0 HH11 ARG A 201 -4.912 -11.787 4.485 1.00 0.00 H new ATOM 0 HH12 ARG A 201 -6.470 -12.054 3.695 1.00 0.00 H new ATOM 0 HH21 ARG A 201 -5.965 -15.480 3.296 1.00 0.00 H new ATOM 0 HH22 ARG A 201 -7.061 -14.121 3.029 1.00 0.00 H new ATOM 488 N LYS A 202 -1.914 -10.956 1.196 1.00 0.00 N ATOM 489 CA LYS A 202 -1.737 -11.413 -0.215 1.00 0.00 C ATOM 490 C LYS A 202 -1.221 -10.240 -1.064 1.00 0.00 C ATOM 491 O LYS A 202 -0.376 -10.404 -1.923 1.00 0.00 O ATOM 492 CB LYS A 202 -3.082 -11.873 -0.787 1.00 0.00 C ATOM 493 CG LYS A 202 -3.547 -13.178 -0.119 1.00 0.00 C ATOM 494 CD LYS A 202 -4.893 -13.598 -0.723 1.00 0.00 C ATOM 495 CE LYS A 202 -5.381 -14.884 -0.047 1.00 0.00 C ATOM 496 NZ LYS A 202 -6.590 -15.396 -0.760 1.00 0.00 N ATOM 0 H LYS A 202 -2.879 -10.813 1.494 1.00 0.00 H new ATOM 0 HA LYS A 202 -1.027 -12.240 -0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -3.831 -11.096 -0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -2.992 -12.023 -1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -2.806 -13.963 -0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -3.646 -13.035 0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -5.627 -12.803 -0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -4.788 -13.757 -1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -4.592 -15.636 -0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -5.618 -14.690 0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -6.920 -16.269 -0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -7.343 -14.680 -0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -6.349 -15.597 -1.752 1.00 0.00 H new ATOM 510 N CYS A 203 -1.741 -9.056 -0.830 1.00 0.00 N ATOM 511 CA CYS A 203 -1.305 -7.859 -1.622 1.00 0.00 C ATOM 512 C CYS A 203 0.181 -7.599 -1.399 1.00 0.00 C ATOM 513 O CYS A 203 0.900 -7.265 -2.318 1.00 0.00 O ATOM 514 CB CYS A 203 -2.108 -6.622 -1.204 1.00 0.00 C ATOM 515 SG CYS A 203 -1.774 -5.275 -2.373 1.00 0.00 S ATOM 0 H CYS A 203 -2.451 -8.867 -0.122 1.00 0.00 H new ATOM 0 HA CYS A 203 -1.483 -8.059 -2.678 1.00 0.00 H new ATOM 0 HB2 CYS A 203 -3.173 -6.852 -1.190 1.00 0.00 H new ATOM 0 HB3 CYS A 203 -1.834 -6.320 -0.193 1.00 0.00 H new ATOM 0 HG CYS A 203 -2.453 -4.222 -2.027 1.00 0.00 H new ATOM 521 N TYR A 204 0.655 -7.746 -0.194 1.00 0.00 N ATOM 522 CA TYR A 204 2.106 -7.511 0.055 1.00 0.00 C ATOM 523 C TYR A 204 2.926 -8.483 -0.800 1.00 0.00 C ATOM 524 O TYR A 204 3.931 -8.116 -1.371 1.00 0.00 O ATOM 525 CB TYR A 204 2.433 -7.737 1.530 1.00 0.00 C ATOM 526 CG TYR A 204 3.865 -7.315 1.785 1.00 0.00 C ATOM 527 CD1 TYR A 204 4.915 -8.214 1.553 1.00 0.00 C ATOM 528 CD2 TYR A 204 4.144 -6.016 2.241 1.00 0.00 C ATOM 529 CE1 TYR A 204 6.239 -7.819 1.777 1.00 0.00 C ATOM 530 CE2 TYR A 204 5.469 -5.623 2.463 1.00 0.00 C ATOM 531 CZ TYR A 204 6.517 -6.524 2.229 1.00 0.00 C ATOM 532 OH TYR A 204 7.823 -6.143 2.451 1.00 0.00 O ATOM 0 H TYR A 204 0.107 -8.016 0.623 1.00 0.00 H new ATOM 0 HA TYR A 204 2.351 -6.482 -0.208 1.00 0.00 H new ATOM 0 HB2 TYR A 204 1.753 -7.163 2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 204 2.297 -8.787 1.790 1.00 0.00 H new ATOM 0 HD1 TYR A 204 4.702 -9.213 1.201 1.00 0.00 H new ATOM 0 HD2 TYR A 204 3.337 -5.321 2.420 1.00 0.00 H new ATOM 0 HE1 TYR A 204 7.047 -8.514 1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 204 5.684 -4.625 2.815 1.00 0.00 H new ATOM 0 HH TYR A 204 7.853 -5.487 3.179 1.00 0.00 H new ATOM 542 N GLU A 205 2.502 -9.725 -0.905 1.00 0.00 N ATOM 543 CA GLU A 205 3.271 -10.713 -1.721 1.00 0.00 C ATOM 544 C GLU A 205 3.352 -10.231 -3.170 1.00 0.00 C ATOM 545 O GLU A 205 4.377 -10.353 -3.808 1.00 0.00 O ATOM 546 CB GLU A 205 2.561 -12.075 -1.675 1.00 0.00 C ATOM 547 CG GLU A 205 2.781 -12.730 -0.307 1.00 0.00 C ATOM 548 CD GLU A 205 1.977 -14.035 -0.232 1.00 0.00 C ATOM 549 OE1 GLU A 205 1.122 -14.228 -1.078 1.00 0.00 O ATOM 550 OE2 GLU A 205 2.235 -14.822 0.668 1.00 0.00 O ATOM 0 H GLU A 205 1.660 -10.091 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 205 4.278 -10.811 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 205 1.494 -11.946 -1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 205 2.944 -12.722 -2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 205 3.841 -12.934 -0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 205 2.470 -12.052 0.488 1.00 0.00 H new ATOM 557 N ARG A 206 2.289 -9.679 -3.694 1.00 0.00 N ATOM 558 CA ARG A 206 2.328 -9.189 -5.106 1.00 0.00 C ATOM 559 C ARG A 206 3.411 -8.121 -5.229 1.00 0.00 C ATOM 560 O ARG A 206 4.144 -8.067 -6.195 1.00 0.00 O ATOM 561 CB ARG A 206 0.973 -8.564 -5.456 1.00 0.00 C ATOM 562 CG ARG A 206 -0.105 -9.657 -5.512 1.00 0.00 C ATOM 563 CD ARG A 206 -1.468 -9.025 -5.838 1.00 0.00 C ATOM 564 NE ARG A 206 -2.574 -9.920 -5.356 1.00 0.00 N ATOM 565 CZ ARG A 206 -2.626 -11.192 -5.673 1.00 0.00 C ATOM 566 NH1 ARG A 206 -1.858 -11.673 -6.611 1.00 0.00 N ATOM 567 NH2 ARG A 206 -3.505 -11.971 -5.089 1.00 0.00 N ATOM 0 H ARG A 206 1.401 -9.546 -3.210 1.00 0.00 H new ATOM 0 HA ARG A 206 2.541 -10.018 -5.781 1.00 0.00 H new ATOM 0 HB2 ARG A 206 0.705 -7.814 -4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 206 1.035 -8.052 -6.416 1.00 0.00 H new ATOM 0 HG2 ARG A 206 0.153 -10.398 -6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 206 -0.155 -10.181 -4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 206 -1.548 -8.046 -5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 206 -1.558 -8.867 -6.913 1.00 0.00 H new ATOM 0 HE ARG A 206 -3.306 -9.527 -4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 206 -1.210 -11.059 -7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 206 -1.905 -12.663 -6.851 1.00 0.00 H new ATOM 0 HH21 ARG A 206 -4.144 -11.587 -4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 206 -3.550 -12.961 -5.331 1.00 0.00 H new ATOM 581 N LEU A 207 3.514 -7.272 -4.248 1.00 0.00 N ATOM 582 CA LEU A 207 4.543 -6.201 -4.282 1.00 0.00 C ATOM 583 C LEU A 207 5.935 -6.841 -4.310 1.00 0.00 C ATOM 584 O LEU A 207 6.825 -6.378 -4.994 1.00 0.00 O ATOM 585 CB LEU A 207 4.405 -5.334 -3.028 1.00 0.00 C ATOM 586 CG LEU A 207 5.447 -4.199 -3.039 1.00 0.00 C ATOM 587 CD1 LEU A 207 5.138 -3.206 -4.172 1.00 0.00 C ATOM 588 CD2 LEU A 207 5.415 -3.470 -1.691 1.00 0.00 C ATOM 0 H LEU A 207 2.923 -7.275 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 207 4.408 -5.584 -5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 207 3.401 -4.913 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 207 4.537 -5.949 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 207 6.437 -4.623 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 207 5.881 -2.409 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 207 5.167 -3.726 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 207 4.147 -2.779 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 207 6.151 -2.666 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 207 4.422 -3.052 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 207 5.649 -4.173 -0.892 1.00 0.00 H new ATOM 600 N GLU A 208 6.137 -7.897 -3.560 1.00 0.00 N ATOM 601 CA GLU A 208 7.480 -8.537 -3.541 1.00 0.00 C ATOM 602 C GLU A 208 7.844 -8.926 -4.975 1.00 0.00 C ATOM 603 O GLU A 208 8.952 -8.704 -5.417 1.00 0.00 O ATOM 604 CB GLU A 208 7.426 -9.788 -2.662 1.00 0.00 C ATOM 605 CG GLU A 208 7.234 -9.380 -1.195 1.00 0.00 C ATOM 606 CD GLU A 208 7.239 -10.628 -0.317 1.00 0.00 C ATOM 607 OE1 GLU A 208 6.450 -11.518 -0.585 1.00 0.00 O ATOM 608 OE2 GLU A 208 8.033 -10.677 0.608 1.00 0.00 O ATOM 0 H GLU A 208 5.434 -8.337 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 208 8.227 -7.852 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 208 6.607 -10.433 -2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 208 8.346 -10.362 -2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 208 8.030 -8.702 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.294 -8.842 -1.076 1.00 0.00 H new ATOM 615 N LEU A 209 6.915 -9.463 -5.725 1.00 0.00 N ATOM 616 CA LEU A 209 7.228 -9.805 -7.141 1.00 0.00 C ATOM 617 C LEU A 209 7.627 -8.520 -7.870 1.00 0.00 C ATOM 618 O LEU A 209 8.594 -8.481 -8.604 1.00 0.00 O ATOM 619 CB LEU A 209 5.990 -10.416 -7.805 1.00 0.00 C ATOM 620 CG LEU A 209 6.272 -10.777 -9.274 1.00 0.00 C ATOM 621 CD1 LEU A 209 7.383 -11.835 -9.358 1.00 0.00 C ATOM 622 CD2 LEU A 209 4.987 -11.341 -9.897 1.00 0.00 C ATOM 0 H LEU A 209 5.965 -9.676 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 209 8.044 -10.527 -7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 209 5.684 -11.309 -7.260 1.00 0.00 H new ATOM 0 HB3 LEU A 209 5.160 -9.711 -7.753 1.00 0.00 H new ATOM 0 HG LEU A 209 6.595 -9.885 -9.811 1.00 0.00 H new ATOM 0 HD11 LEU A 209 7.573 -12.081 -10.403 1.00 0.00 H new ATOM 0 HD12 LEU A 209 8.294 -11.442 -8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 209 7.071 -12.733 -8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 209 5.172 -11.602 -10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 209 4.678 -12.231 -9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 209 4.198 -10.591 -9.845 1.00 0.00 H new ATOM 634 N ALA A 210 6.887 -7.461 -7.656 1.00 0.00 N ATOM 635 CA ALA A 210 7.221 -6.172 -8.322 1.00 0.00 C ATOM 636 C ALA A 210 8.608 -5.729 -7.863 1.00 0.00 C ATOM 637 O ALA A 210 9.405 -5.236 -8.635 1.00 0.00 O ATOM 638 CB ALA A 210 6.184 -5.105 -7.937 1.00 0.00 C ATOM 0 H ALA A 210 6.068 -7.437 -7.049 1.00 0.00 H new ATOM 0 HA ALA A 210 7.211 -6.301 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 210 6.432 -4.163 -8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 210 5.193 -5.429 -8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 210 6.190 -4.965 -6.856 1.00 0.00 H new ATOM 644 N ALA A 211 8.904 -5.908 -6.606 1.00 0.00 N ATOM 645 CA ALA A 211 10.235 -5.502 -6.100 1.00 0.00 C ATOM 646 C ALA A 211 11.309 -6.256 -6.875 1.00 0.00 C ATOM 647 O ALA A 211 12.354 -5.728 -7.177 1.00 0.00 O ATOM 648 CB ALA A 211 10.346 -5.837 -4.614 1.00 0.00 C ATOM 0 H ALA A 211 8.280 -6.318 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 211 10.367 -4.428 -6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 211 11.327 -5.537 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 211 9.572 -5.304 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 211 10.218 -6.910 -4.472 1.00 0.00 H new ATOM 654 N ARG A 212 11.062 -7.496 -7.192 1.00 0.00 N ATOM 655 CA ARG A 212 12.070 -8.285 -7.939 1.00 0.00 C ATOM 656 C ARG A 212 12.315 -7.639 -9.306 1.00 0.00 C ATOM 657 O ARG A 212 13.428 -7.582 -9.790 1.00 0.00 O ATOM 658 CB ARG A 212 11.541 -9.711 -8.136 1.00 0.00 C ATOM 659 CG ARG A 212 12.701 -10.671 -8.466 1.00 0.00 C ATOM 660 CD ARG A 212 13.344 -11.197 -7.168 1.00 0.00 C ATOM 661 NE ARG A 212 12.634 -12.431 -6.720 1.00 0.00 N ATOM 662 CZ ARG A 212 13.181 -13.223 -5.833 1.00 0.00 C ATOM 663 NH1 ARG A 212 14.364 -12.958 -5.344 1.00 0.00 N ATOM 664 NH2 ARG A 212 12.550 -14.295 -5.454 1.00 0.00 N ATOM 0 H ARG A 212 10.202 -7.995 -6.964 1.00 0.00 H new ATOM 0 HA ARG A 212 13.005 -8.311 -7.380 1.00 0.00 H new ATOM 0 HB2 ARG A 212 11.030 -10.044 -7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 212 10.807 -9.726 -8.942 1.00 0.00 H new ATOM 0 HG2 ARG A 212 12.333 -11.506 -9.062 1.00 0.00 H new ATOM 0 HG3 ARG A 212 13.449 -10.155 -9.068 1.00 0.00 H new ATOM 0 HD2 ARG A 212 14.399 -11.413 -7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 212 13.294 -10.434 -6.391 1.00 0.00 H new ATOM 0 HE ARG A 212 11.718 -12.658 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 212 14.869 -12.128 -5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 212 14.782 -13.581 -4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 212 11.635 -14.514 -5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 212 12.970 -14.917 -4.763 1.00 0.00 H new ATOM 678 N GLU A 213 11.274 -7.169 -9.938 1.00 0.00 N ATOM 679 CA GLU A 213 11.429 -6.544 -11.283 1.00 0.00 C ATOM 680 C GLU A 213 12.165 -5.198 -11.173 1.00 0.00 C ATOM 681 O GLU A 213 13.003 -4.870 -11.992 1.00 0.00 O ATOM 682 CB GLU A 213 10.037 -6.290 -11.872 1.00 0.00 C ATOM 683 CG GLU A 213 9.360 -7.624 -12.210 1.00 0.00 C ATOM 684 CD GLU A 213 7.921 -7.364 -12.667 1.00 0.00 C ATOM 685 OE1 GLU A 213 7.735 -7.110 -13.845 1.00 0.00 O ATOM 686 OE2 GLU A 213 7.029 -7.419 -11.834 1.00 0.00 O ATOM 0 H GLU A 213 10.319 -7.191 -9.579 1.00 0.00 H new ATOM 0 HA GLU A 213 12.005 -7.216 -11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.428 -5.733 -11.160 1.00 0.00 H new ATOM 0 HB3 GLU A 213 10.119 -5.677 -12.769 1.00 0.00 H new ATOM 0 HG2 GLU A 213 9.915 -8.137 -12.995 1.00 0.00 H new ATOM 0 HG3 GLU A 213 9.364 -8.277 -11.338 1.00 0.00 H new ATOM 693 N HIS A 214 11.840 -4.405 -10.178 1.00 0.00 N ATOM 694 CA HIS A 214 12.496 -3.068 -10.019 1.00 0.00 C ATOM 695 C HIS A 214 13.680 -3.156 -9.049 1.00 0.00 C ATOM 696 O HIS A 214 14.502 -2.265 -8.975 1.00 0.00 O ATOM 697 CB HIS A 214 11.469 -2.080 -9.472 1.00 0.00 C ATOM 698 CG HIS A 214 10.431 -1.774 -10.526 1.00 0.00 C ATOM 699 ND1 HIS A 214 10.634 -0.799 -11.488 1.00 0.00 N ATOM 700 CD2 HIS A 214 9.172 -2.278 -10.766 1.00 0.00 C ATOM 701 CE1 HIS A 214 9.526 -0.738 -12.251 1.00 0.00 C ATOM 702 NE2 HIS A 214 8.604 -1.620 -11.857 1.00 0.00 N ATOM 0 H HIS A 214 11.145 -4.629 -9.466 1.00 0.00 H new ATOM 0 HA HIS A 214 12.867 -2.736 -10.989 1.00 0.00 H new ATOM 0 HB2 HIS A 214 10.988 -2.496 -8.587 1.00 0.00 H new ATOM 0 HB3 HIS A 214 11.966 -1.161 -9.162 1.00 0.00 H new ATOM 0 HD2 HIS A 214 8.697 -3.063 -10.196 1.00 0.00 H new ATOM 0 HE1 HIS A 214 9.399 -0.058 -13.081 1.00 0.00 H new ATOM 0 HE2 HIS A 214 7.683 -1.778 -12.266 1.00 0.00 H new ATOM 710 N GLY A 215 13.769 -4.211 -8.297 1.00 0.00 N ATOM 711 CA GLY A 215 14.892 -4.342 -7.325 1.00 0.00 C ATOM 712 C GLY A 215 14.638 -3.423 -6.129 1.00 0.00 C ATOM 713 O GLY A 215 15.552 -3.022 -5.437 1.00 0.00 O ATOM 0 H GLY A 215 13.113 -4.992 -8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 215 14.980 -5.376 -6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 215 15.835 -4.081 -7.805 1.00 0.00 H new ATOM 717 N TRP A 216 13.401 -3.080 -5.885 1.00 0.00 N ATOM 718 CA TRP A 216 13.082 -2.177 -4.738 1.00 0.00 C ATOM 719 C TRP A 216 13.361 -2.877 -3.410 1.00 0.00 C ATOM 720 O TRP A 216 13.090 -4.048 -3.233 1.00 0.00 O ATOM 721 CB TRP A 216 11.590 -1.821 -4.747 1.00 0.00 C ATOM 722 CG TRP A 216 11.211 -0.983 -5.932 1.00 0.00 C ATOM 723 CD1 TRP A 216 11.936 0.032 -6.471 1.00 0.00 C ATOM 724 CD2 TRP A 216 9.985 -1.064 -6.714 1.00 0.00 C ATOM 725 NE1 TRP A 216 11.224 0.571 -7.531 1.00 0.00 N ATOM 726 CE2 TRP A 216 10.019 -0.070 -7.719 1.00 0.00 C ATOM 727 CE3 TRP A 216 8.857 -1.902 -6.649 1.00 0.00 C ATOM 728 CZ2 TRP A 216 8.969 0.091 -8.622 1.00 0.00 C ATOM 729 CZ3 TRP A 216 7.804 -1.743 -7.558 1.00 0.00 C ATOM 730 CH2 TRP A 216 7.858 -0.749 -8.541 1.00 0.00 C ATOM 0 H TRP A 216 12.596 -3.386 -6.431 1.00 0.00 H new ATOM 0 HA TRP A 216 13.701 -1.286 -4.841 1.00 0.00 H new ATOM 0 HB2 TRP A 216 11.000 -2.738 -4.750 1.00 0.00 H new ATOM 0 HB3 TRP A 216 11.341 -1.285 -3.831 1.00 0.00 H new ATOM 0 HD1 TRP A 216 12.906 0.364 -6.130 1.00 0.00 H new ATOM 0 HE1 TRP A 216 11.553 1.349 -8.103 1.00 0.00 H new ATOM 0 HE3 TRP A 216 8.803 -2.672 -5.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 9.015 0.860 -9.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 6.943 -2.393 -7.500 1.00 0.00 H new ATOM 0 HH2 TRP A 216 7.040 -0.632 -9.237 1.00 0.00 H new ATOM 741 N SER A 217 13.850 -2.138 -2.454 1.00 0.00 N ATOM 742 CA SER A 217 14.090 -2.710 -1.105 1.00 0.00 C ATOM 743 C SER A 217 12.818 -2.455 -0.299 1.00 0.00 C ATOM 744 O SER A 217 12.617 -1.378 0.226 1.00 0.00 O ATOM 745 CB SER A 217 15.272 -1.990 -0.458 1.00 0.00 C ATOM 746 OG SER A 217 16.487 -2.500 -0.993 1.00 0.00 O ATOM 0 H SER A 217 14.095 -1.153 -2.553 1.00 0.00 H new ATOM 0 HA SER A 217 14.320 -3.775 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 217 15.203 -0.918 -0.641 1.00 0.00 H new ATOM 0 HB3 SER A 217 15.250 -2.131 0.623 1.00 0.00 H new ATOM 0 HG SER A 217 17.246 -2.038 -0.580 1.00 0.00 H new ATOM 752 N ILE A 218 11.937 -3.414 -0.231 1.00 0.00 N ATOM 753 CA ILE A 218 10.663 -3.184 0.498 1.00 0.00 C ATOM 754 C ILE A 218 10.905 -3.160 2.014 1.00 0.00 C ATOM 755 O ILE A 218 11.779 -3.844 2.514 1.00 0.00 O ATOM 756 CB ILE A 218 9.689 -4.309 0.146 1.00 0.00 C ATOM 757 CG1 ILE A 218 10.179 -5.632 0.768 1.00 0.00 C ATOM 758 CG2 ILE A 218 9.611 -4.436 -1.382 1.00 0.00 C ATOM 759 CD1 ILE A 218 9.361 -6.796 0.215 1.00 0.00 C ATOM 0 H ILE A 218 12.044 -4.340 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 218 10.247 -2.220 0.204 1.00 0.00 H new ATOM 0 HB ILE A 218 8.699 -4.084 0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 218 11.236 -5.780 0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 218 10.084 -5.592 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 218 8.919 -5.236 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 218 9.259 -3.496 -1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 218 10.600 -4.666 -1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 218 9.711 -7.729 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 218 8.309 -6.650 0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 218 9.478 -6.841 -0.868 1.00 0.00 H new ATOM 771 N PRO A 219 10.123 -2.403 2.754 1.00 0.00 N ATOM 772 CA PRO A 219 10.253 -2.336 4.235 1.00 0.00 C ATOM 773 C PRO A 219 9.660 -3.590 4.887 1.00 0.00 C ATOM 774 O PRO A 219 9.002 -4.380 4.239 1.00 0.00 O ATOM 775 CB PRO A 219 9.442 -1.089 4.606 1.00 0.00 C ATOM 776 CG PRO A 219 8.375 -1.026 3.564 1.00 0.00 C ATOM 777 CD PRO A 219 9.033 -1.520 2.274 1.00 0.00 C ATOM 0 HA PRO A 219 11.288 -2.285 4.573 1.00 0.00 H new ATOM 0 HB2 PRO A 219 9.018 -1.172 5.607 1.00 0.00 H new ATOM 0 HB3 PRO A 219 10.062 -0.193 4.596 1.00 0.00 H new ATOM 0 HG2 PRO A 219 7.524 -1.651 3.835 1.00 0.00 H new ATOM 0 HG3 PRO A 219 7.999 -0.009 3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 219 8.326 -2.061 1.645 1.00 0.00 H new ATOM 0 HD3 PRO A 219 9.420 -0.693 1.679 1.00 0.00 H new ATOM 785 N SER A 220 9.883 -3.785 6.151 1.00 0.00 N ATOM 786 CA SER A 220 9.320 -4.992 6.815 1.00 0.00 C ATOM 787 C SER A 220 7.794 -4.963 6.710 1.00 0.00 C ATOM 788 O SER A 220 7.183 -3.919 6.791 1.00 0.00 O ATOM 789 CB SER A 220 9.735 -4.994 8.282 1.00 0.00 C ATOM 790 OG SER A 220 11.153 -4.904 8.370 1.00 0.00 O ATOM 0 H SER A 220 10.427 -3.167 6.753 1.00 0.00 H new ATOM 0 HA SER A 220 9.697 -5.892 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 220 9.273 -4.156 8.804 1.00 0.00 H new ATOM 0 HB3 SER A 220 9.386 -5.904 8.769 1.00 0.00 H new ATOM 0 HG SER A 220 11.423 -4.903 9.312 1.00 0.00 H new ATOM 796 N ARG A 221 7.168 -6.094 6.519 1.00 0.00 N ATOM 797 CA ARG A 221 5.680 -6.104 6.396 1.00 0.00 C ATOM 798 C ARG A 221 5.060 -5.414 7.620 1.00 0.00 C ATOM 799 O ARG A 221 4.124 -4.646 7.502 1.00 0.00 O ATOM 800 CB ARG A 221 5.196 -7.553 6.344 1.00 0.00 C ATOM 801 CG ARG A 221 5.651 -8.194 5.031 1.00 0.00 C ATOM 802 CD ARG A 221 5.172 -9.644 4.974 1.00 0.00 C ATOM 803 NE ARG A 221 5.610 -10.258 3.688 1.00 0.00 N ATOM 804 CZ ARG A 221 5.531 -11.550 3.529 1.00 0.00 C ATOM 805 NH1 ARG A 221 5.048 -12.288 4.489 1.00 0.00 N ATOM 806 NH2 ARG A 221 5.915 -12.102 2.408 1.00 0.00 N ATOM 0 H ARG A 221 7.619 -7.006 6.443 1.00 0.00 H new ATOM 0 HA ARG A 221 5.384 -5.576 5.489 1.00 0.00 H new ATOM 0 HB2 ARG A 221 5.594 -8.112 7.191 1.00 0.00 H new ATOM 0 HB3 ARG A 221 4.109 -7.588 6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 221 5.252 -7.635 4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 221 6.738 -8.156 4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 221 5.577 -10.206 5.815 1.00 0.00 H new ATOM 0 HD3 ARG A 221 4.086 -9.684 5.058 1.00 0.00 H new ATOM 0 HE ARG A 221 5.970 -9.670 2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 221 4.735 -11.854 5.357 1.00 0.00 H new ATOM 0 HH12 ARG A 221 4.983 -13.299 4.372 1.00 0.00 H new ATOM 0 HH21 ARG A 221 6.279 -11.522 1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 221 5.851 -13.113 2.289 1.00 0.00 H new ATOM 820 N ALA A 222 5.581 -5.673 8.791 1.00 0.00 N ATOM 821 CA ALA A 222 5.029 -5.025 10.019 1.00 0.00 C ATOM 822 C ALA A 222 5.155 -3.502 9.896 1.00 0.00 C ATOM 823 O ALA A 222 4.266 -2.762 10.264 1.00 0.00 O ATOM 824 CB ALA A 222 5.817 -5.509 11.236 1.00 0.00 C ATOM 0 H ALA A 222 6.365 -6.305 8.951 1.00 0.00 H new ATOM 0 HA ALA A 222 3.978 -5.289 10.134 1.00 0.00 H new ATOM 0 HB1 ALA A 222 5.420 -5.040 12.136 1.00 0.00 H new ATOM 0 HB2 ALA A 222 5.727 -6.592 11.321 1.00 0.00 H new ATOM 0 HB3 ALA A 222 6.867 -5.240 11.120 1.00 0.00 H new ATOM 830 N THR A 223 6.256 -3.035 9.375 1.00 0.00 N ATOM 831 CA THR A 223 6.466 -1.570 9.211 1.00 0.00 C ATOM 832 C THR A 223 5.447 -0.980 8.227 1.00 0.00 C ATOM 833 O THR A 223 4.961 0.118 8.417 1.00 0.00 O ATOM 834 CB THR A 223 7.880 -1.323 8.679 1.00 0.00 C ATOM 835 OG1 THR A 223 8.838 -1.801 9.618 1.00 0.00 O ATOM 836 CG2 THR A 223 8.080 0.171 8.447 1.00 0.00 C ATOM 0 H THR A 223 7.030 -3.616 9.052 1.00 0.00 H new ATOM 0 HA THR A 223 6.335 -1.087 10.179 1.00 0.00 H new ATOM 0 HB THR A 223 8.012 -1.855 7.737 1.00 0.00 H new ATOM 0 HG1 THR A 223 9.741 -1.643 9.273 1.00 0.00 H new ATOM 0 HG21 THR A 223 9.086 0.349 8.068 1.00 0.00 H new ATOM 0 HG22 THR A 223 7.350 0.527 7.720 1.00 0.00 H new ATOM 0 HG23 THR A 223 7.946 0.706 9.387 1.00 0.00 H new ATOM 844 N ALA A 224 5.145 -1.674 7.157 1.00 0.00 N ATOM 845 CA ALA A 224 4.183 -1.117 6.155 1.00 0.00 C ATOM 846 C ALA A 224 2.782 -0.952 6.766 1.00 0.00 C ATOM 847 O ALA A 224 2.194 0.099 6.684 1.00 0.00 O ATOM 848 CB ALA A 224 4.100 -2.049 4.943 1.00 0.00 C ATOM 0 H ALA A 224 5.520 -2.596 6.935 1.00 0.00 H new ATOM 0 HA ALA A 224 4.545 -0.137 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.398 -1.639 4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 224 5.085 -2.139 4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 224 3.757 -3.033 5.263 1.00 0.00 H new ATOM 854 N PHE A 225 2.239 -1.984 7.362 1.00 0.00 N ATOM 855 CA PHE A 225 0.869 -1.876 7.954 1.00 0.00 C ATOM 856 C PHE A 225 0.809 -0.792 9.036 1.00 0.00 C ATOM 857 O PHE A 225 -0.161 -0.068 9.137 1.00 0.00 O ATOM 858 CB PHE A 225 0.460 -3.215 8.570 1.00 0.00 C ATOM 859 CG PHE A 225 -0.922 -3.080 9.176 1.00 0.00 C ATOM 860 CD1 PHE A 225 -2.021 -2.795 8.354 1.00 0.00 C ATOM 861 CD2 PHE A 225 -1.105 -3.233 10.560 1.00 0.00 C ATOM 862 CE1 PHE A 225 -3.296 -2.662 8.909 1.00 0.00 C ATOM 863 CE2 PHE A 225 -2.383 -3.099 11.114 1.00 0.00 C ATOM 864 CZ PHE A 225 -3.479 -2.813 10.289 1.00 0.00 C ATOM 0 H PHE A 225 2.684 -2.896 7.464 1.00 0.00 H new ATOM 0 HA PHE A 225 0.183 -1.605 7.151 1.00 0.00 H new ATOM 0 HB2 PHE A 225 0.462 -3.995 7.809 1.00 0.00 H new ATOM 0 HB3 PHE A 225 1.178 -3.513 9.334 1.00 0.00 H new ATOM 0 HD1 PHE A 225 -1.882 -2.678 7.289 1.00 0.00 H new ATOM 0 HD2 PHE A 225 -0.260 -3.454 11.196 1.00 0.00 H new ATOM 0 HE1 PHE A 225 -4.141 -2.443 8.273 1.00 0.00 H new ATOM 0 HE2 PHE A 225 -2.525 -3.216 12.178 1.00 0.00 H new ATOM 0 HZ PHE A 225 -4.465 -2.709 10.718 1.00 0.00 H new ATOM 874 N ARG A 226 1.812 -0.677 9.857 1.00 0.00 N ATOM 875 CA ARG A 226 1.757 0.368 10.921 1.00 0.00 C ATOM 876 C ARG A 226 1.632 1.739 10.261 1.00 0.00 C ATOM 877 O ARG A 226 0.899 2.594 10.713 1.00 0.00 O ATOM 878 CB ARG A 226 3.032 0.320 11.777 1.00 0.00 C ATOM 879 CG ARG A 226 3.063 -0.970 12.617 1.00 0.00 C ATOM 880 CD ARG A 226 2.152 -0.850 13.845 1.00 0.00 C ATOM 881 NE ARG A 226 2.390 0.448 14.559 1.00 0.00 N ATOM 882 CZ ARG A 226 3.573 0.796 14.989 1.00 0.00 C ATOM 883 NH1 ARG A 226 4.564 -0.056 14.977 1.00 0.00 N ATOM 884 NH2 ARG A 226 3.745 1.989 15.490 1.00 0.00 N ATOM 0 H ARG A 226 2.656 -1.249 9.842 1.00 0.00 H new ATOM 0 HA ARG A 226 0.897 0.186 11.565 1.00 0.00 H new ATOM 0 HB2 ARG A 226 3.911 0.365 11.135 1.00 0.00 H new ATOM 0 HB3 ARG A 226 3.071 1.190 12.432 1.00 0.00 H new ATOM 0 HG2 ARG A 226 2.745 -1.814 12.005 1.00 0.00 H new ATOM 0 HG3 ARG A 226 4.085 -1.175 12.937 1.00 0.00 H new ATOM 0 HD2 ARG A 226 1.108 -0.915 13.537 1.00 0.00 H new ATOM 0 HD3 ARG A 226 2.337 -1.683 14.523 1.00 0.00 H new ATOM 0 HE ARG A 226 1.603 1.078 14.713 1.00 0.00 H new ATOM 0 HH11 ARG A 226 4.418 -1.004 14.629 1.00 0.00 H new ATOM 0 HH12 ARG A 226 5.484 0.227 15.315 1.00 0.00 H new ATOM 0 HH21 ARG A 226 2.960 2.638 15.542 1.00 0.00 H new ATOM 0 HH22 ARG A 226 4.664 2.272 15.829 1.00 0.00 H new ATOM 898 N ARG A 227 2.339 1.946 9.185 1.00 0.00 N ATOM 899 CA ARG A 227 2.266 3.253 8.473 1.00 0.00 C ATOM 900 C ARG A 227 0.874 3.428 7.877 1.00 0.00 C ATOM 901 O ARG A 227 0.316 4.506 7.887 1.00 0.00 O ATOM 902 CB ARG A 227 3.312 3.300 7.364 1.00 0.00 C ATOM 903 CG ARG A 227 3.271 4.673 6.684 1.00 0.00 C ATOM 904 CD ARG A 227 4.486 4.827 5.764 1.00 0.00 C ATOM 905 NE ARG A 227 4.250 5.945 4.799 1.00 0.00 N ATOM 906 CZ ARG A 227 5.252 6.466 4.126 1.00 0.00 C ATOM 907 NH1 ARG A 227 6.472 6.053 4.341 1.00 0.00 N ATOM 908 NH2 ARG A 227 5.037 7.411 3.245 1.00 0.00 N ATOM 0 H ARG A 227 2.968 1.262 8.766 1.00 0.00 H new ATOM 0 HA ARG A 227 2.463 4.060 9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 227 4.304 3.116 7.776 1.00 0.00 H new ATOM 0 HB3 ARG A 227 3.119 2.514 6.634 1.00 0.00 H new ATOM 0 HG2 ARG A 227 2.351 4.778 6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 227 3.269 5.462 7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 227 5.379 5.027 6.356 1.00 0.00 H new ATOM 0 HD3 ARG A 227 4.664 3.898 5.222 1.00 0.00 H new ATOM 0 HE ARG A 227 3.306 6.306 4.662 1.00 0.00 H new ATOM 0 HH11 ARG A 227 6.649 5.324 5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 227 7.248 6.459 3.817 1.00 0.00 H new ATOM 0 HH21 ARG A 227 4.088 7.746 3.078 1.00 0.00 H new ATOM 0 HH22 ARG A 227 5.818 7.812 2.726 1.00 0.00 H new ATOM 922 N ILE A 228 0.312 2.377 7.351 1.00 0.00 N ATOM 923 CA ILE A 228 -1.047 2.478 6.751 1.00 0.00 C ATOM 924 C ILE A 228 -2.022 2.910 7.845 1.00 0.00 C ATOM 925 O ILE A 228 -2.905 3.713 7.623 1.00 0.00 O ATOM 926 CB ILE A 228 -1.468 1.109 6.209 1.00 0.00 C ATOM 927 CG1 ILE A 228 -0.445 0.628 5.148 1.00 0.00 C ATOM 928 CG2 ILE A 228 -2.870 1.216 5.598 1.00 0.00 C ATOM 929 CD1 ILE A 228 -0.756 1.188 3.754 1.00 0.00 C ATOM 0 H ILE A 228 0.736 1.450 7.310 1.00 0.00 H new ATOM 0 HA ILE A 228 -1.047 3.202 5.936 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.491 0.382 7.020 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.558 0.934 5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.447 -0.461 5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.173 0.243 5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.577 1.539 6.363 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.858 1.942 4.785 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -0.014 0.825 3.042 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -1.748 0.860 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -0.727 2.277 3.785 1.00 0.00 H new ATOM 941 N GLN A 229 -1.857 2.378 9.026 1.00 0.00 N ATOM 942 CA GLN A 229 -2.759 2.746 10.154 1.00 0.00 C ATOM 943 C GLN A 229 -2.510 4.201 10.542 1.00 0.00 C ATOM 944 O GLN A 229 -3.358 4.856 11.112 1.00 0.00 O ATOM 945 CB GLN A 229 -2.466 1.853 11.364 1.00 0.00 C ATOM 946 CG GLN A 229 -2.872 0.416 11.044 1.00 0.00 C ATOM 947 CD GLN A 229 -4.393 0.328 10.944 1.00 0.00 C ATOM 948 OE1 GLN A 229 -4.918 -0.167 9.967 1.00 0.00 O ATOM 949 NE2 GLN A 229 -5.131 0.788 11.917 1.00 0.00 N ATOM 0 H GLN A 229 -1.131 1.700 9.259 1.00 0.00 H new ATOM 0 HA GLN A 229 -3.795 2.613 9.844 1.00 0.00 H new ATOM 0 HB2 GLN A 229 -1.406 1.896 11.613 1.00 0.00 H new ATOM 0 HB3 GLN A 229 -3.013 2.212 12.236 1.00 0.00 H new ATOM 0 HG2 GLN A 229 -2.416 0.098 10.106 1.00 0.00 H new ATOM 0 HG3 GLN A 229 -2.508 -0.258 11.820 1.00 0.00 H new ATOM 0 HE21 GLN A 229 -4.691 1.204 12.738 1.00 0.00 H new ATOM 0 HE22 GLN A 229 -6.148 0.732 11.857 1.00 0.00 H new ATOM 958 N GLN A 230 -1.348 4.706 10.248 1.00 0.00 N ATOM 959 CA GLN A 230 -1.034 6.114 10.609 1.00 0.00 C ATOM 960 C GLN A 230 -1.729 7.050 9.619 1.00 0.00 C ATOM 961 O GLN A 230 -1.824 8.239 9.841 1.00 0.00 O ATOM 962 CB GLN A 230 0.484 6.312 10.549 1.00 0.00 C ATOM 963 CG GLN A 230 0.887 7.585 11.294 1.00 0.00 C ATOM 964 CD GLN A 230 0.622 7.413 12.787 1.00 0.00 C ATOM 965 OE1 GLN A 230 1.297 6.651 13.447 1.00 0.00 O ATOM 966 NE2 GLN A 230 -0.339 8.087 13.357 1.00 0.00 N ATOM 0 H GLN A 230 -0.599 4.203 9.772 1.00 0.00 H new ATOM 0 HA GLN A 230 -1.387 6.337 11.616 1.00 0.00 H new ATOM 0 HB2 GLN A 230 0.987 5.451 10.989 1.00 0.00 H new ATOM 0 HB3 GLN A 230 0.808 6.373 9.510 1.00 0.00 H new ATOM 0 HG2 GLN A 230 1.942 7.798 11.124 1.00 0.00 H new ATOM 0 HG3 GLN A 230 0.324 8.436 10.911 1.00 0.00 H new ATOM 0 HE21 GLN A 230 -0.909 8.729 12.805 1.00 0.00 H new ATOM 0 HE22 GLN A 230 -0.521 7.972 14.354 1.00 0.00 H new ATOM 975 N LEU A 231 -2.237 6.518 8.537 1.00 0.00 N ATOM 976 CA LEU A 231 -2.944 7.382 7.539 1.00 0.00 C ATOM 977 C LEU A 231 -4.235 7.910 8.165 1.00 0.00 C ATOM 978 O LEU A 231 -4.265 8.997 8.702 1.00 0.00 O ATOM 979 CB LEU A 231 -3.304 6.561 6.296 1.00 0.00 C ATOM 980 CG LEU A 231 -2.039 6.036 5.598 1.00 0.00 C ATOM 981 CD1 LEU A 231 -2.455 5.110 4.453 1.00 0.00 C ATOM 982 CD2 LEU A 231 -1.216 7.197 5.026 1.00 0.00 C ATOM 0 H LEU A 231 -2.194 5.527 8.300 1.00 0.00 H new ATOM 0 HA LEU A 231 -2.291 8.207 7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -3.941 5.723 6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -3.878 7.176 5.603 1.00 0.00 H new ATOM 0 HG LEU A 231 -1.431 5.498 6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -1.565 4.731 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -3.030 4.274 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -3.066 5.664 3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 231 -0.325 6.805 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -1.817 7.746 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -0.921 7.866 5.834 1.00 0.00 H new ATOM 994 N ASP A 232 -5.301 7.144 8.111 1.00 0.00 N ATOM 995 CA ASP A 232 -6.593 7.601 8.710 1.00 0.00 C ATOM 996 C ASP A 232 -7.635 6.488 8.603 1.00 0.00 C ATOM 997 O ASP A 232 -7.654 5.740 7.658 1.00 0.00 O ATOM 998 CB ASP A 232 -7.129 8.824 7.951 1.00 0.00 C ATOM 999 CG ASP A 232 -8.191 9.522 8.802 1.00 0.00 C ATOM 1000 OD1 ASP A 232 -8.804 8.848 9.616 1.00 0.00 O ATOM 1001 OD2 ASP A 232 -8.371 10.714 8.629 1.00 0.00 O ATOM 0 H ASP A 232 -5.330 6.221 7.677 1.00 0.00 H new ATOM 0 HA ASP A 232 -6.412 7.858 9.754 1.00 0.00 H new ATOM 0 HB2 ASP A 232 -6.315 9.513 7.728 1.00 0.00 H new ATOM 0 HB3 ASP A 232 -7.556 8.516 6.997 1.00 0.00 H new ATOM 1006 N GLU A 233 -8.526 6.396 9.547 1.00 0.00 N ATOM 1007 CA GLU A 233 -9.581 5.347 9.453 1.00 0.00 C ATOM 1008 C GLU A 233 -10.377 5.590 8.176 1.00 0.00 C ATOM 1009 O GLU A 233 -10.761 4.673 7.479 1.00 0.00 O ATOM 1010 CB GLU A 233 -10.523 5.432 10.654 1.00 0.00 C ATOM 1011 CG GLU A 233 -9.778 4.986 11.905 1.00 0.00 C ATOM 1012 CD GLU A 233 -10.720 5.068 13.103 1.00 0.00 C ATOM 1013 OE1 GLU A 233 -11.449 4.117 13.328 1.00 0.00 O ATOM 1014 OE2 GLU A 233 -10.700 6.087 13.772 1.00 0.00 O ATOM 0 H GLU A 233 -8.572 6.994 10.372 1.00 0.00 H new ATOM 0 HA GLU A 233 -9.118 4.360 9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -10.885 6.453 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -11.397 4.801 10.492 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -9.414 3.966 11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -8.906 5.619 12.069 1.00 0.00 H new ATOM 1021 N ALA A 234 -10.618 6.831 7.865 1.00 0.00 N ATOM 1022 CA ALA A 234 -11.375 7.165 6.633 1.00 0.00 C ATOM 1023 C ALA A 234 -10.605 6.630 5.431 1.00 0.00 C ATOM 1024 O ALA A 234 -11.147 6.461 4.357 1.00 0.00 O ATOM 1025 CB ALA A 234 -11.484 8.681 6.515 1.00 0.00 C ATOM 0 H ALA A 234 -10.319 7.634 8.418 1.00 0.00 H new ATOM 0 HA ALA A 234 -12.371 6.723 6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 234 -12.039 8.937 5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 234 -12.006 9.077 7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 234 -10.485 9.115 6.462 1.00 0.00 H new ATOM 1031 N MET A 235 -9.336 6.374 5.610 1.00 0.00 N ATOM 1032 CA MET A 235 -8.511 5.855 4.492 1.00 0.00 C ATOM 1033 C MET A 235 -9.089 4.518 4.012 1.00 0.00 C ATOM 1034 O MET A 235 -9.151 4.252 2.833 1.00 0.00 O ATOM 1035 CB MET A 235 -7.079 5.669 4.993 1.00 0.00 C ATOM 1036 CG MET A 235 -6.127 5.412 3.820 1.00 0.00 C ATOM 1037 SD MET A 235 -6.344 3.711 3.238 1.00 0.00 S ATOM 1038 CE MET A 235 -5.803 2.859 4.747 1.00 0.00 C ATOM 0 H MET A 235 -8.837 6.505 6.490 1.00 0.00 H new ATOM 0 HA MET A 235 -8.515 6.555 3.656 1.00 0.00 H new ATOM 0 HB2 MET A 235 -6.761 6.557 5.539 1.00 0.00 H new ATOM 0 HB3 MET A 235 -7.038 4.833 5.692 1.00 0.00 H new ATOM 0 HG2 MET A 235 -6.329 6.114 3.011 1.00 0.00 H new ATOM 0 HG3 MET A 235 -5.095 5.574 4.132 1.00 0.00 H new ATOM 0 HE1 MET A 235 -5.277 1.943 4.479 1.00 0.00 H new ATOM 0 HE2 MET A 235 -5.135 3.509 5.312 1.00 0.00 H new ATOM 0 HE3 MET A 235 -6.672 2.613 5.357 1.00 0.00 H new ATOM 1048 N VAL A 236 -9.529 3.672 4.906 1.00 0.00 N ATOM 1049 CA VAL A 236 -10.107 2.373 4.450 1.00 0.00 C ATOM 1050 C VAL A 236 -11.351 2.651 3.600 1.00 0.00 C ATOM 1051 O VAL A 236 -11.583 2.016 2.594 1.00 0.00 O ATOM 1052 CB VAL A 236 -10.470 1.503 5.661 1.00 0.00 C ATOM 1053 CG1 VAL A 236 -11.298 0.296 5.210 1.00 0.00 C ATOM 1054 CG2 VAL A 236 -9.187 1.000 6.326 1.00 0.00 C ATOM 0 H VAL A 236 -9.514 3.819 5.915 1.00 0.00 H new ATOM 0 HA VAL A 236 -9.373 1.835 3.851 1.00 0.00 H new ATOM 0 HB VAL A 236 -11.050 2.100 6.365 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -11.551 -0.316 6.076 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -12.214 0.642 4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -10.720 -0.298 4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -9.442 0.382 7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -8.614 0.409 5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -8.590 1.851 6.654 1.00 0.00 H new ATOM 1064 N VAL A 237 -12.137 3.603 4.002 1.00 0.00 N ATOM 1065 CA VAL A 237 -13.368 3.958 3.235 1.00 0.00 C ATOM 1066 C VAL A 237 -12.958 4.593 1.907 1.00 0.00 C ATOM 1067 O VAL A 237 -13.755 4.730 1.000 1.00 0.00 O ATOM 1068 CB VAL A 237 -14.206 4.940 4.066 1.00 0.00 C ATOM 1069 CG1 VAL A 237 -15.602 5.102 3.463 1.00 0.00 C ATOM 1070 CG2 VAL A 237 -14.348 4.389 5.482 1.00 0.00 C ATOM 0 H VAL A 237 -11.981 4.161 4.841 1.00 0.00 H new ATOM 0 HA VAL A 237 -13.964 3.068 3.033 1.00 0.00 H new ATOM 0 HB VAL A 237 -13.708 5.909 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 237 -16.180 5.802 4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 237 -15.517 5.484 2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 237 -16.106 4.135 3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 237 -14.942 5.078 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 237 -14.843 3.419 5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 237 -13.360 4.276 5.929 1.00 0.00 H new ATOM 1080 N ALA A 238 -11.719 4.981 1.795 1.00 0.00 N ATOM 1081 CA ALA A 238 -11.232 5.621 0.542 1.00 0.00 C ATOM 1082 C ALA A 238 -11.400 4.680 -0.650 1.00 0.00 C ATOM 1083 O ALA A 238 -11.748 5.107 -1.733 1.00 0.00 O ATOM 1084 CB ALA A 238 -9.752 5.956 0.694 1.00 0.00 C ATOM 0 H ALA A 238 -11.015 4.881 2.526 1.00 0.00 H new ATOM 0 HA ALA A 238 -11.816 6.525 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 238 -9.389 6.425 -0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 238 -9.618 6.641 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 238 -9.189 5.041 0.880 1.00 0.00 H new