USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 471 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 220 SER OG : rot 175:sc= 1.26 USER MOD Set 1.2: A 223 THR OG1 : rot 107:sc= 1.26 USER MOD Single : A 186 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.76) USER MOD Single : A 192 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.443) USER MOD Single : A 203 CYS SG : rot 73:sc= -2.25! USER MOD Single : A 204 TYR OH : rot -156:sc= -0.118 USER MOD Single : A 214 HIS : no HD1:sc= -3 K(o=-3,f=-1.8) USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 229 GLN : amide:sc= -6.27! C(o=-6.3!,f=-4.4!) USER MOD Single : A 230 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.11) USER MOD Single : A 235 MET CE :methyl -128:sc= -0.927 (180deg=-3.72!) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 181 12.068 2.591 -0.983 1.00 0.00 N ATOM 136 CA ASP A 181 11.785 2.838 -2.435 1.00 0.00 C ATOM 137 C ASP A 181 10.437 3.545 -2.594 1.00 0.00 C ATOM 138 O ASP A 181 9.394 2.955 -2.399 1.00 0.00 O ATOM 139 CB ASP A 181 11.739 1.507 -3.184 1.00 0.00 C ATOM 140 CG ASP A 181 13.150 0.931 -3.263 1.00 0.00 C ATOM 141 OD1 ASP A 181 13.595 0.373 -2.275 1.00 0.00 O ATOM 142 OD2 ASP A 181 13.766 1.070 -4.307 1.00 0.00 O ATOM 0 HA ASP A 181 12.576 3.466 -2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 181 11.076 0.810 -2.672 1.00 0.00 H new ATOM 0 HB3 ASP A 181 11.335 1.653 -4.186 1.00 0.00 H new ATOM 147 N GLU A 182 10.456 4.805 -2.954 1.00 0.00 N ATOM 148 CA GLU A 182 9.187 5.568 -3.140 1.00 0.00 C ATOM 149 C GLU A 182 8.318 4.919 -4.217 1.00 0.00 C ATOM 150 O GLU A 182 7.112 4.852 -4.092 1.00 0.00 O ATOM 151 CB GLU A 182 9.525 7.003 -3.558 1.00 0.00 C ATOM 152 CG GLU A 182 10.143 7.754 -2.377 1.00 0.00 C ATOM 153 CD GLU A 182 11.554 7.223 -2.117 1.00 0.00 C ATOM 154 OE1 GLU A 182 12.189 6.793 -3.066 1.00 0.00 O ATOM 155 OE2 GLU A 182 11.972 7.250 -0.973 1.00 0.00 O ATOM 0 H GLU A 182 11.306 5.341 -3.128 1.00 0.00 H new ATOM 0 HA GLU A 182 8.634 5.567 -2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 182 10.219 6.993 -4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 182 8.624 7.515 -3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 182 10.179 8.822 -2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 182 9.525 7.627 -1.488 1.00 0.00 H new ATOM 162 N ASP A 183 8.910 4.465 -5.286 1.00 0.00 N ATOM 163 CA ASP A 183 8.098 3.843 -6.370 1.00 0.00 C ATOM 164 C ASP A 183 7.346 2.627 -5.824 1.00 0.00 C ATOM 165 O ASP A 183 6.197 2.397 -6.152 1.00 0.00 O ATOM 166 CB ASP A 183 9.022 3.390 -7.503 1.00 0.00 C ATOM 167 CG ASP A 183 9.588 4.611 -8.222 1.00 0.00 C ATOM 168 OD1 ASP A 183 8.917 5.628 -8.241 1.00 0.00 O ATOM 169 OD2 ASP A 183 10.690 4.509 -8.735 1.00 0.00 O ATOM 0 H ASP A 183 9.915 4.497 -5.456 1.00 0.00 H new ATOM 0 HA ASP A 183 7.383 4.576 -6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 183 9.834 2.783 -7.103 1.00 0.00 H new ATOM 0 HB3 ASP A 183 8.472 2.764 -8.206 1.00 0.00 H new ATOM 174 N ALA A 184 7.983 1.842 -4.995 1.00 0.00 N ATOM 175 CA ALA A 184 7.288 0.643 -4.442 1.00 0.00 C ATOM 176 C ALA A 184 6.258 1.093 -3.409 1.00 0.00 C ATOM 177 O ALA A 184 5.157 0.583 -3.355 1.00 0.00 O ATOM 178 CB ALA A 184 8.293 -0.307 -3.775 1.00 0.00 C ATOM 0 H ALA A 184 8.944 1.977 -4.680 1.00 0.00 H new ATOM 0 HA ALA A 184 6.797 0.114 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 184 7.766 -1.175 -3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 184 9.028 -0.634 -4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 184 8.800 0.212 -2.962 1.00 0.00 H new ATOM 184 N TRP A 185 6.597 2.048 -2.587 1.00 0.00 N ATOM 185 CA TRP A 185 5.622 2.516 -1.569 1.00 0.00 C ATOM 186 C TRP A 185 4.373 3.054 -2.273 1.00 0.00 C ATOM 187 O TRP A 185 3.263 2.761 -1.888 1.00 0.00 O ATOM 188 CB TRP A 185 6.264 3.620 -0.736 1.00 0.00 C ATOM 189 CG TRP A 185 5.314 4.084 0.320 1.00 0.00 C ATOM 190 CD1 TRP A 185 4.812 5.335 0.416 1.00 0.00 C ATOM 191 CD2 TRP A 185 4.757 3.330 1.437 1.00 0.00 C ATOM 192 NE1 TRP A 185 3.978 5.397 1.522 1.00 0.00 N ATOM 193 CE2 TRP A 185 3.911 4.185 2.179 1.00 0.00 C ATOM 194 CE3 TRP A 185 4.900 1.999 1.874 1.00 0.00 C ATOM 195 CZ2 TRP A 185 3.232 3.737 3.311 1.00 0.00 C ATOM 196 CZ3 TRP A 185 4.218 1.546 3.010 1.00 0.00 C ATOM 197 CH2 TRP A 185 3.386 2.414 3.727 1.00 0.00 C ATOM 0 H TRP A 185 7.501 2.520 -2.578 1.00 0.00 H new ATOM 0 HA TRP A 185 5.337 1.689 -0.918 1.00 0.00 H new ATOM 0 HB2 TRP A 185 7.181 3.252 -0.275 1.00 0.00 H new ATOM 0 HB3 TRP A 185 6.543 4.456 -1.378 1.00 0.00 H new ATOM 0 HD1 TRP A 185 5.025 6.152 -0.258 1.00 0.00 H new ATOM 0 HE1 TRP A 185 3.476 6.235 1.814 1.00 0.00 H new ATOM 0 HE3 TRP A 185 5.541 1.322 1.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 2.591 4.409 3.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 4.334 0.522 3.334 1.00 0.00 H new ATOM 0 HH2 TRP A 185 2.863 2.059 4.603 1.00 0.00 H new ATOM 208 N GLN A 186 4.545 3.827 -3.318 1.00 0.00 N ATOM 209 CA GLN A 186 3.361 4.360 -4.049 1.00 0.00 C ATOM 210 C GLN A 186 2.543 3.187 -4.589 1.00 0.00 C ATOM 211 O GLN A 186 1.328 3.201 -4.588 1.00 0.00 O ATOM 212 CB GLN A 186 3.805 5.263 -5.206 1.00 0.00 C ATOM 213 CG GLN A 186 4.397 6.566 -4.660 1.00 0.00 C ATOM 214 CD GLN A 186 3.304 7.380 -3.960 1.00 0.00 C ATOM 215 OE1 GLN A 186 2.205 7.504 -4.463 1.00 0.00 O ATOM 216 NE2 GLN A 186 3.570 7.952 -2.815 1.00 0.00 N ATOM 0 H GLN A 186 5.451 4.109 -3.692 1.00 0.00 H new ATOM 0 HA GLN A 186 2.753 4.953 -3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 186 4.545 4.746 -5.817 1.00 0.00 H new ATOM 0 HB3 GLN A 186 2.955 5.483 -5.852 1.00 0.00 H new ATOM 0 HG2 GLN A 186 5.203 6.345 -3.960 1.00 0.00 H new ATOM 0 HG3 GLN A 186 4.832 7.147 -5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 186 4.493 7.847 -2.395 1.00 0.00 H new ATOM 0 HE22 GLN A 186 2.854 8.504 -2.342 1.00 0.00 H new ATOM 225 N PHE A 187 3.207 2.179 -5.068 1.00 0.00 N ATOM 226 CA PHE A 187 2.491 1.004 -5.628 1.00 0.00 C ATOM 227 C PHE A 187 1.601 0.382 -4.551 1.00 0.00 C ATOM 228 O PHE A 187 0.446 0.096 -4.783 1.00 0.00 O ATOM 229 CB PHE A 187 3.538 -0.010 -6.081 1.00 0.00 C ATOM 230 CG PHE A 187 2.903 -1.088 -6.935 1.00 0.00 C ATOM 231 CD1 PHE A 187 2.086 -2.074 -6.355 1.00 0.00 C ATOM 232 CD2 PHE A 187 3.149 -1.108 -8.313 1.00 0.00 C ATOM 233 CE1 PHE A 187 1.518 -3.072 -7.158 1.00 0.00 C ATOM 234 CE2 PHE A 187 2.582 -2.106 -9.113 1.00 0.00 C ATOM 235 CZ PHE A 187 1.768 -3.086 -8.539 1.00 0.00 C ATOM 0 H PHE A 187 4.225 2.117 -5.096 1.00 0.00 H new ATOM 0 HA PHE A 187 1.864 1.304 -6.468 1.00 0.00 H new ATOM 0 HB2 PHE A 187 4.321 0.496 -6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 187 4.015 -0.462 -5.211 1.00 0.00 H new ATOM 0 HD1 PHE A 187 1.896 -2.062 -5.292 1.00 0.00 H new ATOM 0 HD2 PHE A 187 3.778 -0.352 -8.759 1.00 0.00 H new ATOM 0 HE1 PHE A 187 0.889 -3.830 -6.715 1.00 0.00 H new ATOM 0 HE2 PHE A 187 2.774 -2.119 -10.176 1.00 0.00 H new ATOM 0 HZ PHE A 187 1.331 -3.855 -9.159 1.00 0.00 H new ATOM 245 N LEU A 188 2.128 0.167 -3.377 1.00 0.00 N ATOM 246 CA LEU A 188 1.306 -0.437 -2.288 1.00 0.00 C ATOM 247 C LEU A 188 0.106 0.468 -1.996 1.00 0.00 C ATOM 248 O LEU A 188 -1.022 0.022 -1.921 1.00 0.00 O ATOM 249 CB LEU A 188 2.177 -0.583 -1.026 1.00 0.00 C ATOM 250 CG LEU A 188 1.343 -1.113 0.152 1.00 0.00 C ATOM 251 CD1 LEU A 188 0.749 -2.484 -0.205 1.00 0.00 C ATOM 252 CD2 LEU A 188 2.242 -1.255 1.393 1.00 0.00 C ATOM 0 H LEU A 188 3.092 0.383 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 188 0.944 -1.419 -2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 188 3.005 -1.263 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 188 2.612 0.382 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 188 0.534 -0.413 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 188 0.159 -2.854 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.110 -2.386 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 188 1.555 -3.185 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 188 1.652 -1.631 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 188 3.052 -1.952 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 188 2.660 -0.282 1.652 1.00 0.00 H new ATOM 264 N ILE A 189 0.354 1.736 -1.820 1.00 0.00 N ATOM 265 CA ILE A 189 -0.746 2.702 -1.515 1.00 0.00 C ATOM 266 C ILE A 189 -1.769 2.742 -2.664 1.00 0.00 C ATOM 267 O ILE A 189 -2.958 2.832 -2.432 1.00 0.00 O ATOM 268 CB ILE A 189 -0.120 4.098 -1.302 1.00 0.00 C ATOM 269 CG1 ILE A 189 0.851 4.059 -0.100 1.00 0.00 C ATOM 270 CG2 ILE A 189 -1.206 5.156 -1.051 1.00 0.00 C ATOM 271 CD1 ILE A 189 0.138 3.595 1.180 1.00 0.00 C ATOM 0 H ILE A 189 1.284 2.152 -1.875 1.00 0.00 H new ATOM 0 HA ILE A 189 -1.274 2.388 -0.614 1.00 0.00 H new ATOM 0 HB ILE A 189 0.425 4.369 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 189 1.680 3.386 -0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 189 1.278 5.050 0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 189 -0.738 6.130 -0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 189 -1.876 5.201 -1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 189 -1.775 4.889 -0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 189 0.848 3.578 2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 189 -0.675 4.283 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 189 -0.266 2.594 1.029 1.00 0.00 H new ATOM 283 N ALA A 190 -1.322 2.704 -3.894 1.00 0.00 N ATOM 284 CA ALA A 190 -2.275 2.768 -5.050 1.00 0.00 C ATOM 285 C ALA A 190 -3.242 1.576 -5.041 1.00 0.00 C ATOM 286 O ALA A 190 -4.419 1.731 -5.279 1.00 0.00 O ATOM 287 CB ALA A 190 -1.485 2.747 -6.363 1.00 0.00 C ATOM 0 H ALA A 190 -0.337 2.631 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 190 -2.851 3.689 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -2.176 2.793 -7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -0.813 3.605 -6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -0.902 1.828 -6.422 1.00 0.00 H new ATOM 293 N ASP A 191 -2.759 0.389 -4.800 1.00 0.00 N ATOM 294 CA ASP A 191 -3.673 -0.796 -4.815 1.00 0.00 C ATOM 295 C ASP A 191 -4.626 -0.760 -3.614 1.00 0.00 C ATOM 296 O ASP A 191 -5.797 -1.052 -3.739 1.00 0.00 O ATOM 297 CB ASP A 191 -2.831 -2.077 -4.765 1.00 0.00 C ATOM 298 CG ASP A 191 -2.091 -2.249 -6.092 1.00 0.00 C ATOM 299 OD1 ASP A 191 -2.742 -2.563 -7.075 1.00 0.00 O ATOM 300 OD2 ASP A 191 -0.886 -2.060 -6.106 1.00 0.00 O ATOM 0 H ASP A 191 -1.781 0.185 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 191 -4.268 -0.774 -5.728 1.00 0.00 H new ATOM 0 HB2 ASP A 191 -2.118 -2.025 -3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 191 -3.471 -2.939 -4.578 1.00 0.00 H new ATOM 305 N TYR A 192 -4.146 -0.407 -2.455 1.00 0.00 N ATOM 306 CA TYR A 192 -5.048 -0.367 -1.268 1.00 0.00 C ATOM 307 C TYR A 192 -6.186 0.643 -1.491 1.00 0.00 C ATOM 308 O TYR A 192 -7.320 0.412 -1.111 1.00 0.00 O ATOM 309 CB TYR A 192 -4.243 0.038 -0.027 1.00 0.00 C ATOM 310 CG TYR A 192 -5.022 -0.315 1.222 1.00 0.00 C ATOM 311 CD1 TYR A 192 -5.964 0.577 1.744 1.00 0.00 C ATOM 312 CD2 TYR A 192 -4.803 -1.545 1.846 1.00 0.00 C ATOM 313 CE1 TYR A 192 -6.686 0.235 2.898 1.00 0.00 C ATOM 314 CE2 TYR A 192 -5.523 -1.889 2.993 1.00 0.00 C ATOM 315 CZ TYR A 192 -6.464 -1.000 3.520 1.00 0.00 C ATOM 316 OH TYR A 192 -7.180 -1.341 4.645 1.00 0.00 O ATOM 0 H TYR A 192 -3.176 -0.146 -2.277 1.00 0.00 H new ATOM 0 HA TYR A 192 -5.480 -1.357 -1.122 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -3.280 -0.473 -0.023 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -4.036 1.108 -0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -6.136 1.527 1.260 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -4.075 -2.232 1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -7.412 0.923 3.306 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -5.352 -2.842 3.472 1.00 0.00 H new ATOM 0 HH TYR A 192 -6.905 -2.231 4.950 1.00 0.00 H new ATOM 326 N LEU A 193 -5.890 1.769 -2.082 1.00 0.00 N ATOM 327 CA LEU A 193 -6.945 2.808 -2.304 1.00 0.00 C ATOM 328 C LEU A 193 -7.797 2.461 -3.528 1.00 0.00 C ATOM 329 O LEU A 193 -8.805 3.089 -3.782 1.00 0.00 O ATOM 330 CB LEU A 193 -6.284 4.170 -2.533 1.00 0.00 C ATOM 331 CG LEU A 193 -5.456 4.572 -1.301 1.00 0.00 C ATOM 332 CD1 LEU A 193 -4.743 5.907 -1.577 1.00 0.00 C ATOM 333 CD2 LEU A 193 -6.375 4.730 -0.073 1.00 0.00 C ATOM 0 H LEU A 193 -4.961 2.018 -2.423 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.584 2.842 -1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -5.643 4.128 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -7.046 4.924 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 193 -4.720 3.794 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -4.156 6.193 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -4.084 5.796 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.484 6.679 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -5.778 5.015 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -7.118 5.502 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -6.879 3.785 0.128 1.00 0.00 H new ATOM 345 N ARG A 194 -7.416 1.476 -4.292 1.00 0.00 N ATOM 346 CA ARG A 194 -8.233 1.115 -5.487 1.00 0.00 C ATOM 347 C ARG A 194 -9.440 0.280 -5.030 1.00 0.00 C ATOM 348 O ARG A 194 -9.364 -0.416 -4.037 1.00 0.00 O ATOM 349 CB ARG A 194 -7.378 0.296 -6.460 1.00 0.00 C ATOM 350 CG ARG A 194 -6.467 1.225 -7.290 1.00 0.00 C ATOM 351 CD ARG A 194 -7.172 1.667 -8.578 1.00 0.00 C ATOM 352 NE ARG A 194 -6.217 2.444 -9.418 1.00 0.00 N ATOM 353 CZ ARG A 194 -6.460 2.612 -10.687 1.00 0.00 C ATOM 354 NH1 ARG A 194 -7.547 2.120 -11.208 1.00 0.00 N ATOM 355 NH2 ARG A 194 -5.617 3.263 -11.438 1.00 0.00 N ATOM 0 H ARG A 194 -6.581 0.908 -4.144 1.00 0.00 H new ATOM 0 HA ARG A 194 -8.579 2.019 -5.988 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -6.770 -0.420 -5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -8.022 -0.280 -7.124 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -6.197 2.100 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -5.540 0.708 -7.536 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -7.532 0.797 -9.126 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -8.044 2.276 -8.339 1.00 0.00 H new ATOM 0 HE ARG A 194 -5.376 2.843 -9.001 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -8.205 1.605 -10.623 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -7.741 2.250 -12.201 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -4.762 3.644 -11.033 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -5.812 3.392 -12.431 1.00 0.00 H new ATOM 369 N PRO A 195 -10.545 0.336 -5.741 1.00 0.00 N ATOM 370 CA PRO A 195 -11.765 -0.439 -5.373 1.00 0.00 C ATOM 371 C PRO A 195 -11.574 -1.938 -5.626 1.00 0.00 C ATOM 372 O PRO A 195 -12.485 -2.727 -5.478 1.00 0.00 O ATOM 373 CB PRO A 195 -12.860 0.146 -6.282 1.00 0.00 C ATOM 374 CG PRO A 195 -12.128 0.663 -7.477 1.00 0.00 C ATOM 375 CD PRO A 195 -10.757 1.128 -6.969 1.00 0.00 C ATOM 0 HA PRO A 195 -12.009 -0.356 -4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -13.589 -0.614 -6.563 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -13.408 0.942 -5.779 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -12.020 -0.114 -8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -12.671 1.486 -7.941 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -9.974 0.942 -7.704 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -10.750 2.198 -6.760 1.00 0.00 H new ATOM 383 N GLU A 196 -10.391 -2.328 -6.004 1.00 0.00 N ATOM 384 CA GLU A 196 -10.129 -3.771 -6.272 1.00 0.00 C ATOM 385 C GLU A 196 -10.272 -4.552 -4.973 1.00 0.00 C ATOM 386 O GLU A 196 -10.619 -5.713 -4.977 1.00 0.00 O ATOM 387 CB GLU A 196 -8.715 -3.937 -6.819 1.00 0.00 C ATOM 388 CG GLU A 196 -8.647 -3.339 -8.225 1.00 0.00 C ATOM 389 CD GLU A 196 -9.411 -4.225 -9.209 1.00 0.00 C ATOM 390 OE1 GLU A 196 -10.611 -4.039 -9.343 1.00 0.00 O ATOM 391 OE2 GLU A 196 -8.780 -5.071 -9.820 1.00 0.00 O ATOM 0 H GLU A 196 -9.591 -1.710 -6.140 1.00 0.00 H new ATOM 0 HA GLU A 196 -10.843 -4.147 -7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -7.998 -3.441 -6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -8.444 -4.992 -6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -9.071 -2.335 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -7.607 -3.245 -8.539 1.00 0.00 H new ATOM 398 N LYS A 197 -9.990 -3.921 -3.865 1.00 0.00 N ATOM 399 CA LYS A 197 -10.100 -4.615 -2.553 1.00 0.00 C ATOM 400 C LYS A 197 -9.045 -5.720 -2.502 1.00 0.00 C ATOM 401 O LYS A 197 -9.354 -6.890 -2.417 1.00 0.00 O ATOM 402 CB LYS A 197 -11.514 -5.205 -2.395 1.00 0.00 C ATOM 403 CG LYS A 197 -11.810 -5.495 -0.920 1.00 0.00 C ATOM 404 CD LYS A 197 -13.313 -5.759 -0.742 1.00 0.00 C ATOM 405 CE LYS A 197 -13.719 -7.025 -1.506 1.00 0.00 C ATOM 406 NZ LYS A 197 -15.034 -7.516 -0.993 1.00 0.00 N ATOM 0 H LYS A 197 -9.686 -2.949 -3.814 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.931 -3.914 -1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -12.252 -4.507 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -11.599 -6.123 -2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -11.236 -6.359 -0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -11.503 -4.650 -0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -13.547 -5.873 0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -13.886 -4.906 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -13.789 -6.812 -2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -12.958 -7.796 -1.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -15.310 -8.375 -1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -14.952 -7.734 0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -15.757 -6.781 -1.131 1.00 0.00 H new ATOM 420 N PRO A 198 -7.796 -5.332 -2.570 1.00 0.00 N ATOM 421 CA PRO A 198 -6.653 -6.282 -2.555 1.00 0.00 C ATOM 422 C PRO A 198 -6.317 -6.769 -1.142 1.00 0.00 C ATOM 423 O PRO A 198 -6.160 -5.983 -0.228 1.00 0.00 O ATOM 424 CB PRO A 198 -5.511 -5.438 -3.130 1.00 0.00 C ATOM 425 CG PRO A 198 -5.807 -4.050 -2.673 1.00 0.00 C ATOM 426 CD PRO A 198 -7.333 -3.932 -2.661 1.00 0.00 C ATOM 0 HA PRO A 198 -6.858 -7.194 -3.116 1.00 0.00 H new ATOM 0 HB2 PRO A 198 -4.542 -5.778 -2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 198 -5.480 -5.500 -4.218 1.00 0.00 H new ATOM 0 HG2 PRO A 198 -5.393 -3.868 -1.681 1.00 0.00 H new ATOM 0 HG3 PRO A 198 -5.363 -3.314 -3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 198 -7.681 -3.340 -1.815 1.00 0.00 H new ATOM 0 HD3 PRO A 198 -7.703 -3.446 -3.564 1.00 0.00 H new ATOM 434 N ALA A 199 -6.191 -8.057 -0.960 1.00 0.00 N ATOM 435 CA ALA A 199 -5.848 -8.579 0.390 1.00 0.00 C ATOM 436 C ALA A 199 -4.409 -8.165 0.713 1.00 0.00 C ATOM 437 O ALA A 199 -3.482 -8.467 -0.014 1.00 0.00 O ATOM 438 CB ALA A 199 -5.973 -10.106 0.400 1.00 0.00 C ATOM 0 H ALA A 199 -6.310 -8.765 -1.685 1.00 0.00 H new ATOM 0 HA ALA A 199 -6.528 -8.172 1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 199 -5.721 -10.485 1.390 1.00 0.00 H new ATOM 0 HB2 ALA A 199 -6.996 -10.389 0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 199 -5.291 -10.532 -0.336 1.00 0.00 H new ATOM 444 N PHE A 200 -4.222 -7.454 1.788 1.00 0.00 N ATOM 445 CA PHE A 200 -2.858 -6.997 2.164 1.00 0.00 C ATOM 446 C PHE A 200 -1.939 -8.200 2.386 1.00 0.00 C ATOM 447 O PHE A 200 -0.814 -8.227 1.930 1.00 0.00 O ATOM 448 CB PHE A 200 -2.946 -6.184 3.455 1.00 0.00 C ATOM 449 CG PHE A 200 -1.569 -5.700 3.836 1.00 0.00 C ATOM 450 CD1 PHE A 200 -0.691 -6.553 4.510 1.00 0.00 C ATOM 451 CD2 PHE A 200 -1.172 -4.403 3.502 1.00 0.00 C ATOM 452 CE1 PHE A 200 0.591 -6.107 4.854 1.00 0.00 C ATOM 453 CE2 PHE A 200 0.110 -3.956 3.839 1.00 0.00 C ATOM 454 CZ PHE A 200 0.993 -4.808 4.516 1.00 0.00 C ATOM 0 H PHE A 200 -4.963 -7.168 2.428 1.00 0.00 H new ATOM 0 HA PHE A 200 -2.450 -6.384 1.360 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -3.617 -5.336 3.319 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -3.363 -6.795 4.255 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -1.001 -7.556 4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -1.855 -3.746 2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 200 1.269 -6.763 5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 200 0.419 -2.955 3.578 1.00 0.00 H new ATOM 0 HZ PHE A 200 1.983 -4.464 4.777 1.00 0.00 H new ATOM 464 N ARG A 201 -2.404 -9.179 3.116 1.00 0.00 N ATOM 465 CA ARG A 201 -1.555 -10.375 3.410 1.00 0.00 C ATOM 466 C ARG A 201 -1.161 -11.106 2.115 1.00 0.00 C ATOM 467 O ARG A 201 -0.018 -11.466 1.920 1.00 0.00 O ATOM 468 CB ARG A 201 -2.343 -11.335 4.317 1.00 0.00 C ATOM 469 CG ARG A 201 -1.492 -12.564 4.686 1.00 0.00 C ATOM 470 CD ARG A 201 -2.314 -13.496 5.588 1.00 0.00 C ATOM 471 NE ARG A 201 -1.454 -14.632 6.072 1.00 0.00 N ATOM 472 CZ ARG A 201 -0.872 -15.454 5.239 1.00 0.00 C ATOM 473 NH1 ARG A 201 -1.174 -15.428 3.970 1.00 0.00 N ATOM 474 NH2 ARG A 201 -0.033 -16.349 5.689 1.00 0.00 N ATOM 0 H ARG A 201 -3.339 -9.204 3.524 1.00 0.00 H new ATOM 0 HA ARG A 201 -0.643 -10.043 3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 201 -2.650 -10.815 5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 201 -3.253 -11.656 3.810 1.00 0.00 H new ATOM 0 HG2 ARG A 201 -1.183 -13.091 3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 201 -0.583 -12.251 5.199 1.00 0.00 H new ATOM 0 HD2 ARG A 201 -2.708 -12.939 6.438 1.00 0.00 H new ATOM 0 HD3 ARG A 201 -3.171 -13.886 5.038 1.00 0.00 H new ATOM 0 HE ARG A 201 -1.322 -14.764 7.075 1.00 0.00 H new ATOM 0 HH11 ARG A 201 -1.867 -14.764 3.624 1.00 0.00 H new ATOM 0 HH12 ARG A 201 -0.717 -16.071 3.324 1.00 0.00 H new ATOM 0 HH21 ARG A 201 0.166 -16.405 6.688 1.00 0.00 H new ATOM 0 HH22 ARG A 201 0.423 -16.992 5.041 1.00 0.00 H new ATOM 488 N LYS A 202 -2.102 -11.361 1.244 1.00 0.00 N ATOM 489 CA LYS A 202 -1.777 -12.104 -0.012 1.00 0.00 C ATOM 490 C LYS A 202 -1.072 -11.191 -1.012 1.00 0.00 C ATOM 491 O LYS A 202 -0.167 -11.598 -1.714 1.00 0.00 O ATOM 492 CB LYS A 202 -3.067 -12.630 -0.646 1.00 0.00 C ATOM 493 CG LYS A 202 -3.893 -13.385 0.395 1.00 0.00 C ATOM 494 CD LYS A 202 -3.144 -14.641 0.845 1.00 0.00 C ATOM 495 CE LYS A 202 -4.123 -15.591 1.529 1.00 0.00 C ATOM 496 NZ LYS A 202 -3.407 -16.829 1.927 1.00 0.00 N ATOM 0 H LYS A 202 -3.079 -11.088 1.346 1.00 0.00 H new ATOM 0 HA LYS A 202 -1.116 -12.933 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -3.647 -11.801 -1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -2.829 -13.289 -1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -4.089 -12.741 1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -4.861 -13.659 -0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -2.683 -15.131 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -2.340 -14.373 1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -4.560 -15.112 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -4.944 -15.833 0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -4.049 -17.643 1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -2.586 -16.971 1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -3.083 -16.742 2.911 1.00 0.00 H new ATOM 510 N CYS A 203 -1.505 -9.972 -1.104 1.00 0.00 N ATOM 511 CA CYS A 203 -0.892 -9.032 -2.080 1.00 0.00 C ATOM 512 C CYS A 203 0.552 -8.706 -1.708 1.00 0.00 C ATOM 513 O CYS A 203 1.353 -8.386 -2.563 1.00 0.00 O ATOM 514 CB CYS A 203 -1.700 -7.744 -2.114 1.00 0.00 C ATOM 515 SG CYS A 203 -3.363 -8.120 -2.718 1.00 0.00 S ATOM 0 H CYS A 203 -2.262 -9.581 -0.543 1.00 0.00 H new ATOM 0 HA CYS A 203 -0.895 -9.510 -3.060 1.00 0.00 H new ATOM 0 HB2 CYS A 203 -1.750 -7.303 -1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 203 -1.218 -7.013 -2.763 1.00 0.00 H new ATOM 0 HG CYS A 203 -4.024 -8.759 -1.799 1.00 0.00 H new ATOM 521 N TYR A 204 0.900 -8.760 -0.450 1.00 0.00 N ATOM 522 CA TYR A 204 2.300 -8.418 -0.074 1.00 0.00 C ATOM 523 C TYR A 204 3.251 -9.377 -0.793 1.00 0.00 C ATOM 524 O TYR A 204 4.285 -8.982 -1.293 1.00 0.00 O ATOM 525 CB TYR A 204 2.491 -8.544 1.442 1.00 0.00 C ATOM 526 CG TYR A 204 3.870 -8.035 1.795 1.00 0.00 C ATOM 527 CD1 TYR A 204 4.977 -8.892 1.719 1.00 0.00 C ATOM 528 CD2 TYR A 204 4.044 -6.698 2.168 1.00 0.00 C ATOM 529 CE1 TYR A 204 6.260 -8.411 2.021 1.00 0.00 C ATOM 530 CE2 TYR A 204 5.327 -6.215 2.465 1.00 0.00 C ATOM 531 CZ TYR A 204 6.437 -7.072 2.391 1.00 0.00 C ATOM 532 OH TYR A 204 7.704 -6.596 2.685 1.00 0.00 O ATOM 0 H TYR A 204 0.286 -9.022 0.321 1.00 0.00 H new ATOM 0 HA TYR A 204 2.512 -7.390 -0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 204 1.729 -7.970 1.969 1.00 0.00 H new ATOM 0 HB3 TYR A 204 2.379 -9.583 1.753 1.00 0.00 H new ATOM 0 HD1 TYR A 204 4.842 -9.923 1.428 1.00 0.00 H new ATOM 0 HD2 TYR A 204 3.191 -6.038 2.227 1.00 0.00 H new ATOM 0 HE1 TYR A 204 7.111 -9.074 1.968 1.00 0.00 H new ATOM 0 HE2 TYR A 204 5.461 -5.182 2.751 1.00 0.00 H new ATOM 0 HH TYR A 204 7.632 -5.813 3.270 1.00 0.00 H new ATOM 542 N GLU A 205 2.901 -10.633 -0.874 1.00 0.00 N ATOM 543 CA GLU A 205 3.785 -11.590 -1.591 1.00 0.00 C ATOM 544 C GLU A 205 3.919 -11.133 -3.047 1.00 0.00 C ATOM 545 O GLU A 205 4.986 -11.178 -3.629 1.00 0.00 O ATOM 546 CB GLU A 205 3.188 -13.003 -1.535 1.00 0.00 C ATOM 547 CG GLU A 205 3.370 -13.593 -0.133 1.00 0.00 C ATOM 548 CD GLU A 205 2.712 -14.971 -0.088 1.00 0.00 C ATOM 549 OE1 GLU A 205 1.502 -15.021 0.055 1.00 0.00 O ATOM 550 OE2 GLU A 205 3.426 -15.952 -0.215 1.00 0.00 O ATOM 0 H GLU A 205 2.050 -11.032 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 205 4.767 -11.613 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 205 2.129 -12.970 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 205 3.673 -13.641 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 205 4.430 -13.673 0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 205 2.922 -12.937 0.613 1.00 0.00 H new ATOM 557 N ARG A 206 2.849 -10.672 -3.634 1.00 0.00 N ATOM 558 CA ARG A 206 2.920 -10.192 -5.042 1.00 0.00 C ATOM 559 C ARG A 206 3.837 -8.959 -5.107 1.00 0.00 C ATOM 560 O ARG A 206 4.620 -8.802 -6.023 1.00 0.00 O ATOM 561 CB ARG A 206 1.510 -9.843 -5.542 1.00 0.00 C ATOM 562 CG ARG A 206 0.663 -11.118 -5.714 1.00 0.00 C ATOM 563 CD ARG A 206 1.068 -11.877 -6.988 1.00 0.00 C ATOM 564 NE ARG A 206 0.018 -12.883 -7.325 1.00 0.00 N ATOM 565 CZ ARG A 206 0.002 -13.420 -8.512 1.00 0.00 C ATOM 566 NH1 ARG A 206 0.950 -13.136 -9.359 1.00 0.00 N ATOM 567 NH2 ARG A 206 -0.958 -14.243 -8.847 1.00 0.00 N ATOM 0 H ARG A 206 1.929 -10.607 -3.199 1.00 0.00 H new ATOM 0 HA ARG A 206 3.329 -10.974 -5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 206 1.024 -9.170 -4.835 1.00 0.00 H new ATOM 0 HB3 ARG A 206 1.576 -9.313 -6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 206 0.790 -11.764 -4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 206 -0.393 -10.854 -5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 206 1.196 -11.178 -7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 206 2.027 -12.373 -6.839 1.00 0.00 H new ATOM 0 HE ARG A 206 -0.681 -13.148 -6.631 1.00 0.00 H new ATOM 0 HH11 ARG A 206 1.699 -12.497 -9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 206 0.944 -13.553 -10.290 1.00 0.00 H new ATOM 0 HH21 ARG A 206 -1.696 -14.465 -8.179 1.00 0.00 H new ATOM 0 HH22 ARG A 206 -0.969 -14.662 -9.777 1.00 0.00 H new ATOM 581 N LEU A 207 3.749 -8.090 -4.131 1.00 0.00 N ATOM 582 CA LEU A 207 4.613 -6.876 -4.114 1.00 0.00 C ATOM 583 C LEU A 207 6.079 -7.312 -4.091 1.00 0.00 C ATOM 584 O LEU A 207 6.927 -6.709 -4.719 1.00 0.00 O ATOM 585 CB LEU A 207 4.300 -6.036 -2.866 1.00 0.00 C ATOM 586 CG LEU A 207 5.177 -4.773 -2.830 1.00 0.00 C ATOM 587 CD1 LEU A 207 4.782 -3.822 -3.975 1.00 0.00 C ATOM 588 CD2 LEU A 207 4.975 -4.062 -1.491 1.00 0.00 C ATOM 0 H LEU A 207 3.110 -8.173 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 207 4.423 -6.274 -5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 207 3.247 -5.754 -2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 207 4.472 -6.630 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 207 6.222 -5.058 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 207 5.409 -2.931 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 207 4.921 -4.326 -4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 207 3.736 -3.534 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 207 5.594 -3.165 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 207 3.927 -3.784 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 207 5.260 -4.730 -0.678 1.00 0.00 H new ATOM 600 N GLU A 208 6.392 -8.348 -3.361 1.00 0.00 N ATOM 601 CA GLU A 208 7.808 -8.795 -3.301 1.00 0.00 C ATOM 602 C GLU A 208 8.270 -9.134 -4.713 1.00 0.00 C ATOM 603 O GLU A 208 9.374 -8.808 -5.105 1.00 0.00 O ATOM 604 CB GLU A 208 7.915 -10.043 -2.428 1.00 0.00 C ATOM 605 CG GLU A 208 7.675 -9.665 -0.970 1.00 0.00 C ATOM 606 CD GLU A 208 7.829 -10.904 -0.088 1.00 0.00 C ATOM 607 OE1 GLU A 208 7.208 -11.907 -0.396 1.00 0.00 O ATOM 608 OE2 GLU A 208 8.563 -10.826 0.882 1.00 0.00 O ATOM 0 H GLU A 208 5.734 -8.898 -2.809 1.00 0.00 H new ATOM 0 HA GLU A 208 8.428 -8.004 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 208 7.185 -10.787 -2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 208 8.900 -10.495 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 208 8.383 -8.896 -0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.676 -9.244 -0.852 1.00 0.00 H new ATOM 615 N LEU A 209 7.434 -9.757 -5.494 1.00 0.00 N ATOM 616 CA LEU A 209 7.835 -10.075 -6.890 1.00 0.00 C ATOM 617 C LEU A 209 8.016 -8.756 -7.647 1.00 0.00 C ATOM 618 O LEU A 209 8.942 -8.599 -8.419 1.00 0.00 O ATOM 619 CB LEU A 209 6.752 -10.930 -7.564 1.00 0.00 C ATOM 620 CG LEU A 209 6.569 -12.244 -6.792 1.00 0.00 C ATOM 621 CD1 LEU A 209 5.486 -13.078 -7.484 1.00 0.00 C ATOM 622 CD2 LEU A 209 7.897 -13.033 -6.767 1.00 0.00 C ATOM 0 H LEU A 209 6.496 -10.058 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 209 8.768 -10.639 -6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 209 5.810 -10.382 -7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 209 7.032 -11.140 -8.596 1.00 0.00 H new ATOM 0 HG LEU A 209 6.272 -12.026 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 209 5.347 -14.015 -6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 209 4.549 -12.522 -7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 209 5.791 -13.292 -8.509 1.00 0.00 H new ATOM 0 HD21 LEU A 209 7.757 -13.964 -6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 209 8.206 -13.258 -7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 209 8.666 -12.435 -6.278 1.00 0.00 H new ATOM 634 N ALA A 210 7.147 -7.800 -7.416 1.00 0.00 N ATOM 635 CA ALA A 210 7.280 -6.484 -8.109 1.00 0.00 C ATOM 636 C ALA A 210 8.613 -5.857 -7.719 1.00 0.00 C ATOM 637 O ALA A 210 9.341 -5.341 -8.541 1.00 0.00 O ATOM 638 CB ALA A 210 6.141 -5.555 -7.685 1.00 0.00 C ATOM 0 H ALA A 210 6.354 -7.876 -6.779 1.00 0.00 H new ATOM 0 HA ALA A 210 7.236 -6.633 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA A 210 6.244 -4.597 -8.194 1.00 0.00 H new ATOM 0 HB2 ALA A 210 5.185 -6.006 -7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 210 6.181 -5.399 -6.607 1.00 0.00 H new ATOM 644 N ALA A 211 8.934 -5.919 -6.459 1.00 0.00 N ATOM 645 CA ALA A 211 10.217 -5.357 -5.969 1.00 0.00 C ATOM 646 C ALA A 211 11.371 -6.044 -6.685 1.00 0.00 C ATOM 647 O ALA A 211 12.344 -5.415 -7.045 1.00 0.00 O ATOM 648 CB ALA A 211 10.317 -5.594 -4.461 1.00 0.00 C ATOM 0 H ALA A 211 8.351 -6.343 -5.738 1.00 0.00 H new ATOM 0 HA ALA A 211 10.262 -4.287 -6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 211 11.257 -5.185 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 211 9.484 -5.102 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 211 10.282 -6.664 -4.258 1.00 0.00 H new ATOM 654 N ARG A 212 11.277 -7.325 -6.891 1.00 0.00 N ATOM 655 CA ARG A 212 12.375 -8.033 -7.591 1.00 0.00 C ATOM 656 C ARG A 212 12.440 -7.533 -9.034 1.00 0.00 C ATOM 657 O ARG A 212 13.503 -7.343 -9.589 1.00 0.00 O ATOM 658 CB ARG A 212 12.111 -9.546 -7.588 1.00 0.00 C ATOM 659 CG ARG A 212 13.363 -10.313 -8.088 1.00 0.00 C ATOM 660 CD ARG A 212 14.137 -10.904 -6.906 1.00 0.00 C ATOM 661 NE ARG A 212 14.508 -9.807 -5.965 1.00 0.00 N ATOM 662 CZ ARG A 212 14.904 -10.083 -4.757 1.00 0.00 C ATOM 663 NH1 ARG A 212 14.965 -11.320 -4.352 1.00 0.00 N ATOM 664 NH2 ARG A 212 15.240 -9.115 -3.951 1.00 0.00 N ATOM 0 H ARG A 212 10.491 -7.909 -6.606 1.00 0.00 H new ATOM 0 HA ARG A 212 13.319 -7.837 -7.082 1.00 0.00 H new ATOM 0 HB2 ARG A 212 11.853 -9.875 -6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 212 11.258 -9.774 -8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 212 13.061 -11.110 -8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 212 14.008 -9.640 -8.653 1.00 0.00 H new ATOM 0 HD2 ARG A 212 13.528 -11.649 -6.393 1.00 0.00 H new ATOM 0 HD3 ARG A 212 15.033 -11.414 -7.261 1.00 0.00 H new ATOM 0 HE ARG A 212 14.451 -8.836 -6.271 1.00 0.00 H new ATOM 0 HH11 ARG A 212 14.702 -12.077 -4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 212 15.276 -11.531 -3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 212 15.192 -8.147 -4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 212 15.551 -9.326 -3.003 1.00 0.00 H new ATOM 678 N GLU A 213 11.305 -7.330 -9.647 1.00 0.00 N ATOM 679 CA GLU A 213 11.292 -6.848 -11.060 1.00 0.00 C ATOM 680 C GLU A 213 11.971 -5.476 -11.156 1.00 0.00 C ATOM 681 O GLU A 213 12.809 -5.251 -12.007 1.00 0.00 O ATOM 682 CB GLU A 213 9.843 -6.740 -11.550 1.00 0.00 C ATOM 683 CG GLU A 213 9.812 -6.263 -13.005 1.00 0.00 C ATOM 684 CD GLU A 213 10.547 -7.263 -13.900 1.00 0.00 C ATOM 685 OE1 GLU A 213 10.583 -8.431 -13.547 1.00 0.00 O ATOM 686 OE2 GLU A 213 11.064 -6.843 -14.922 1.00 0.00 O ATOM 0 H GLU A 213 10.385 -7.477 -9.231 1.00 0.00 H new ATOM 0 HA GLU A 213 11.837 -7.557 -11.683 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.350 -7.708 -11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.289 -6.045 -10.920 1.00 0.00 H new ATOM 0 HG2 GLU A 213 8.780 -6.154 -13.339 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.278 -5.281 -13.084 1.00 0.00 H new ATOM 693 N HIS A 214 11.604 -4.550 -10.301 1.00 0.00 N ATOM 694 CA HIS A 214 12.219 -3.184 -10.346 1.00 0.00 C ATOM 695 C HIS A 214 13.411 -3.099 -9.388 1.00 0.00 C ATOM 696 O HIS A 214 14.121 -2.113 -9.360 1.00 0.00 O ATOM 697 CB HIS A 214 11.178 -2.152 -9.922 1.00 0.00 C ATOM 698 CG HIS A 214 10.156 -2.008 -10.997 1.00 0.00 C ATOM 699 ND1 HIS A 214 10.364 -1.198 -12.093 1.00 0.00 N ATOM 700 CD2 HIS A 214 8.914 -2.561 -11.160 1.00 0.00 C ATOM 701 CE1 HIS A 214 9.272 -1.281 -12.870 1.00 0.00 C ATOM 702 NE2 HIS A 214 8.355 -2.102 -12.348 1.00 0.00 N ATOM 0 H HIS A 214 10.903 -4.682 -9.572 1.00 0.00 H new ATOM 0 HA HIS A 214 12.561 -2.988 -11.362 1.00 0.00 H new ATOM 0 HB2 HIS A 214 10.702 -2.461 -8.992 1.00 0.00 H new ATOM 0 HB3 HIS A 214 11.658 -1.192 -9.731 1.00 0.00 H new ATOM 0 HD2 HIS A 214 8.442 -3.247 -10.473 1.00 0.00 H new ATOM 0 HE1 HIS A 214 9.149 -0.750 -13.802 1.00 0.00 H new ATOM 0 HE2 HIS A 214 7.443 -2.340 -12.737 1.00 0.00 H new ATOM 710 N GLY A 215 13.629 -4.118 -8.598 1.00 0.00 N ATOM 711 CA GLY A 215 14.769 -4.105 -7.629 1.00 0.00 C ATOM 712 C GLY A 215 14.470 -3.155 -6.458 1.00 0.00 C ATOM 713 O GLY A 215 15.372 -2.576 -5.881 1.00 0.00 O ATOM 0 H GLY A 215 13.062 -4.966 -8.581 1.00 0.00 H new ATOM 0 HA2 GLY A 215 14.945 -5.112 -7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 215 15.681 -3.791 -8.136 1.00 0.00 H new ATOM 717 N TRP A 216 13.222 -2.985 -6.094 1.00 0.00 N ATOM 718 CA TRP A 216 12.907 -2.063 -4.957 1.00 0.00 C ATOM 719 C TRP A 216 13.189 -2.744 -3.618 1.00 0.00 C ATOM 720 O TRP A 216 12.930 -3.917 -3.430 1.00 0.00 O ATOM 721 CB TRP A 216 11.423 -1.664 -4.934 1.00 0.00 C ATOM 722 CG TRP A 216 11.007 -0.924 -6.166 1.00 0.00 C ATOM 723 CD1 TRP A 216 11.688 0.086 -6.759 1.00 0.00 C ATOM 724 CD2 TRP A 216 9.787 -1.107 -6.943 1.00 0.00 C ATOM 725 NE1 TRP A 216 10.967 0.524 -7.855 1.00 0.00 N ATOM 726 CE2 TRP A 216 9.790 -0.184 -8.012 1.00 0.00 C ATOM 727 CE3 TRP A 216 8.691 -1.985 -6.823 1.00 0.00 C ATOM 728 CZ2 TRP A 216 8.741 -0.134 -8.935 1.00 0.00 C ATOM 729 CZ3 TRP A 216 7.638 -1.935 -7.749 1.00 0.00 C ATOM 730 CH2 TRP A 216 7.664 -1.012 -8.802 1.00 0.00 C ATOM 0 H TRP A 216 12.417 -3.438 -6.528 1.00 0.00 H new ATOM 0 HA TRP A 216 13.534 -1.183 -5.102 1.00 0.00 H new ATOM 0 HB2 TRP A 216 10.811 -2.560 -4.829 1.00 0.00 H new ATOM 0 HB3 TRP A 216 11.231 -1.043 -4.059 1.00 0.00 H new ATOM 0 HD1 TRP A 216 12.637 0.483 -6.430 1.00 0.00 H new ATOM 0 HE1 TRP A 216 11.267 1.278 -8.473 1.00 0.00 H new ATOM 0 HE3 TRP A 216 8.662 -2.700 -6.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 8.764 0.579 -9.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 6.803 -2.612 -7.649 1.00 0.00 H new ATOM 0 HH2 TRP A 216 6.850 -0.980 -9.511 1.00 0.00 H new ATOM 741 N SER A 217 13.665 -1.988 -2.670 1.00 0.00 N ATOM 742 CA SER A 217 13.910 -2.538 -1.311 1.00 0.00 C ATOM 743 C SER A 217 12.634 -2.291 -0.504 1.00 0.00 C ATOM 744 O SER A 217 12.281 -1.163 -0.229 1.00 0.00 O ATOM 745 CB SER A 217 15.078 -1.798 -0.664 1.00 0.00 C ATOM 746 OG SER A 217 15.477 -2.487 0.509 1.00 0.00 O ATOM 0 H SER A 217 13.897 -1.001 -2.781 1.00 0.00 H new ATOM 0 HA SER A 217 14.154 -3.600 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 217 15.913 -1.731 -1.362 1.00 0.00 H new ATOM 0 HB3 SER A 217 14.785 -0.777 -0.418 1.00 0.00 H new ATOM 0 HG SER A 217 16.228 -2.015 0.926 1.00 0.00 H new ATOM 752 N ILE A 218 11.913 -3.320 -0.161 1.00 0.00 N ATOM 753 CA ILE A 218 10.631 -3.119 0.578 1.00 0.00 C ATOM 754 C ILE A 218 10.876 -3.109 2.095 1.00 0.00 C ATOM 755 O ILE A 218 11.766 -3.773 2.583 1.00 0.00 O ATOM 756 CB ILE A 218 9.682 -4.268 0.210 1.00 0.00 C ATOM 757 CG1 ILE A 218 10.115 -5.573 0.933 1.00 0.00 C ATOM 758 CG2 ILE A 218 9.733 -4.466 -1.315 1.00 0.00 C ATOM 759 CD1 ILE A 218 9.484 -6.790 0.253 1.00 0.00 C ATOM 0 H ILE A 218 12.153 -4.291 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 218 10.194 -2.160 0.302 1.00 0.00 H new ATOM 0 HB ILE A 218 8.666 -4.027 0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 218 11.201 -5.662 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 218 9.812 -5.535 1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 218 9.065 -5.279 -1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 218 9.419 -3.548 -1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 218 10.751 -4.711 -1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 218 9.796 -7.698 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 218 8.398 -6.706 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 218 9.808 -6.835 -0.787 1.00 0.00 H new ATOM 771 N PRO A 219 10.076 -2.387 2.848 1.00 0.00 N ATOM 772 CA PRO A 219 10.213 -2.345 4.326 1.00 0.00 C ATOM 773 C PRO A 219 9.646 -3.616 4.956 1.00 0.00 C ATOM 774 O PRO A 219 9.020 -4.419 4.289 1.00 0.00 O ATOM 775 CB PRO A 219 9.388 -1.122 4.730 1.00 0.00 C ATOM 776 CG PRO A 219 8.322 -1.033 3.690 1.00 0.00 C ATOM 777 CD PRO A 219 8.962 -1.534 2.388 1.00 0.00 C ATOM 0 HA PRO A 219 11.250 -2.282 4.656 1.00 0.00 H new ATOM 0 HB2 PRO A 219 8.962 -1.242 5.726 1.00 0.00 H new ATOM 0 HB3 PRO A 219 9.999 -0.220 4.751 1.00 0.00 H new ATOM 0 HG2 PRO A 219 7.460 -1.642 3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 219 7.967 -0.008 3.582 1.00 0.00 H new ATOM 0 HD2 PRO A 219 8.251 -2.097 1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 219 9.319 -0.707 1.774 1.00 0.00 H new ATOM 785 N SER A 220 9.850 -3.810 6.223 1.00 0.00 N ATOM 786 CA SER A 220 9.306 -5.031 6.863 1.00 0.00 C ATOM 787 C SER A 220 7.787 -4.997 6.771 1.00 0.00 C ATOM 788 O SER A 220 7.175 -3.946 6.765 1.00 0.00 O ATOM 789 CB SER A 220 9.739 -5.094 8.333 1.00 0.00 C ATOM 790 OG SER A 220 9.044 -4.100 9.074 1.00 0.00 O ATOM 0 H SER A 220 10.366 -3.182 6.839 1.00 0.00 H new ATOM 0 HA SER A 220 9.688 -5.914 6.352 1.00 0.00 H new ATOM 0 HB2 SER A 220 9.529 -6.082 8.743 1.00 0.00 H new ATOM 0 HB3 SER A 220 10.815 -4.937 8.414 1.00 0.00 H new ATOM 0 HG SER A 220 9.258 -4.192 10.026 1.00 0.00 H new ATOM 796 N ARG A 221 7.177 -6.137 6.690 1.00 0.00 N ATOM 797 CA ARG A 221 5.691 -6.184 6.586 1.00 0.00 C ATOM 798 C ARG A 221 5.073 -5.467 7.789 1.00 0.00 C ATOM 799 O ARG A 221 4.092 -4.763 7.668 1.00 0.00 O ATOM 800 CB ARG A 221 5.242 -7.638 6.585 1.00 0.00 C ATOM 801 CG ARG A 221 5.663 -8.286 5.272 1.00 0.00 C ATOM 802 CD ARG A 221 5.427 -9.795 5.359 1.00 0.00 C ATOM 803 NE ARG A 221 3.965 -10.071 5.353 1.00 0.00 N ATOM 804 CZ ARG A 221 3.535 -11.274 5.106 1.00 0.00 C ATOM 805 NH1 ARG A 221 4.386 -12.224 4.818 1.00 0.00 N ATOM 806 NH2 ARG A 221 2.254 -11.524 5.134 1.00 0.00 N ATOM 0 H ARG A 221 7.640 -7.046 6.691 1.00 0.00 H new ATOM 0 HA ARG A 221 5.370 -5.694 5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 221 5.686 -8.170 7.427 1.00 0.00 H new ATOM 0 HB3 ARG A 221 4.160 -7.698 6.705 1.00 0.00 H new ATOM 0 HG2 ARG A 221 5.093 -7.864 4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 221 6.715 -8.081 5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 221 5.906 -10.298 4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 221 5.879 -10.192 6.268 1.00 0.00 H new ATOM 0 HE ARG A 221 3.302 -9.319 5.542 1.00 0.00 H new ATOM 0 HH11 ARG A 221 5.385 -12.022 4.787 1.00 0.00 H new ATOM 0 HH12 ARG A 221 4.051 -13.168 4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 221 1.593 -10.777 5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 221 1.914 -12.466 4.941 1.00 0.00 H new ATOM 820 N ALA A 222 5.631 -5.647 8.954 1.00 0.00 N ATOM 821 CA ALA A 222 5.063 -4.972 10.155 1.00 0.00 C ATOM 822 C ALA A 222 5.171 -3.450 9.998 1.00 0.00 C ATOM 823 O ALA A 222 4.275 -2.712 10.359 1.00 0.00 O ATOM 824 CB ALA A 222 5.841 -5.410 11.401 1.00 0.00 C ATOM 0 H ALA A 222 6.451 -6.229 9.126 1.00 0.00 H new ATOM 0 HA ALA A 222 4.014 -5.249 10.259 1.00 0.00 H new ATOM 0 HB1 ALA A 222 5.427 -4.917 12.281 1.00 0.00 H new ATOM 0 HB2 ALA A 222 5.761 -6.491 11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 222 6.890 -5.134 11.291 1.00 0.00 H new ATOM 830 N THR A 223 6.265 -2.979 9.464 1.00 0.00 N ATOM 831 CA THR A 223 6.451 -1.501 9.288 1.00 0.00 C ATOM 832 C THR A 223 5.456 -0.949 8.270 1.00 0.00 C ATOM 833 O THR A 223 4.932 0.134 8.437 1.00 0.00 O ATOM 834 CB THR A 223 7.878 -1.203 8.793 1.00 0.00 C ATOM 835 OG1 THR A 223 8.813 -1.672 9.750 1.00 0.00 O ATOM 836 CG2 THR A 223 8.073 0.311 8.578 1.00 0.00 C ATOM 0 H THR A 223 7.044 -3.552 9.139 1.00 0.00 H new ATOM 0 HA THR A 223 6.283 -1.024 10.254 1.00 0.00 H new ATOM 0 HB THR A 223 8.034 -1.711 7.841 1.00 0.00 H new ATOM 0 HG1 THR A 223 9.253 -2.478 9.409 1.00 0.00 H new ATOM 0 HG21 THR A 223 9.088 0.501 8.228 1.00 0.00 H new ATOM 0 HG22 THR A 223 7.360 0.668 7.835 1.00 0.00 H new ATOM 0 HG23 THR A 223 7.909 0.836 9.519 1.00 0.00 H new ATOM 844 N ALA A 224 5.209 -1.664 7.205 1.00 0.00 N ATOM 845 CA ALA A 224 4.271 -1.146 6.167 1.00 0.00 C ATOM 846 C ALA A 224 2.876 -0.952 6.764 1.00 0.00 C ATOM 847 O ALA A 224 2.331 0.128 6.724 1.00 0.00 O ATOM 848 CB ALA A 224 4.201 -2.143 5.004 1.00 0.00 C ATOM 0 H ALA A 224 5.614 -2.580 7.009 1.00 0.00 H new ATOM 0 HA ALA A 224 4.634 -0.184 5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.516 -1.768 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 224 5.193 -2.266 4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 224 3.844 -3.105 5.371 1.00 0.00 H new ATOM 854 N PHE A 225 2.295 -1.980 7.314 1.00 0.00 N ATOM 855 CA PHE A 225 0.929 -1.839 7.904 1.00 0.00 C ATOM 856 C PHE A 225 0.933 -0.779 9.008 1.00 0.00 C ATOM 857 O PHE A 225 0.004 -0.005 9.129 1.00 0.00 O ATOM 858 CB PHE A 225 0.449 -3.181 8.467 1.00 0.00 C ATOM 859 CG PHE A 225 -0.918 -3.008 9.094 1.00 0.00 C ATOM 860 CD1 PHE A 225 -2.007 -2.617 8.302 1.00 0.00 C ATOM 861 CD2 PHE A 225 -1.099 -3.230 10.466 1.00 0.00 C ATOM 862 CE1 PHE A 225 -3.269 -2.442 8.880 1.00 0.00 C ATOM 863 CE2 PHE A 225 -2.363 -3.057 11.043 1.00 0.00 C ATOM 864 CZ PHE A 225 -3.447 -2.661 10.249 1.00 0.00 C ATOM 0 H PHE A 225 2.703 -2.912 7.382 1.00 0.00 H new ATOM 0 HA PHE A 225 0.244 -1.524 7.116 1.00 0.00 H new ATOM 0 HB2 PHE A 225 0.404 -3.925 7.672 1.00 0.00 H new ATOM 0 HB3 PHE A 225 1.157 -3.550 9.209 1.00 0.00 H new ATOM 0 HD1 PHE A 225 -1.871 -2.451 7.244 1.00 0.00 H new ATOM 0 HD2 PHE A 225 -0.263 -3.535 11.078 1.00 0.00 H new ATOM 0 HE1 PHE A 225 -4.106 -2.138 8.268 1.00 0.00 H new ATOM 0 HE2 PHE A 225 -2.502 -3.229 12.100 1.00 0.00 H new ATOM 0 HZ PHE A 225 -4.421 -2.525 10.695 1.00 0.00 H new ATOM 874 N ARG A 226 1.949 -0.731 9.825 1.00 0.00 N ATOM 875 CA ARG A 226 1.951 0.298 10.901 1.00 0.00 C ATOM 876 C ARG A 226 1.877 1.670 10.238 1.00 0.00 C ATOM 877 O ARG A 226 1.150 2.542 10.668 1.00 0.00 O ATOM 878 CB ARG A 226 3.241 0.197 11.724 1.00 0.00 C ATOM 879 CG ARG A 226 3.187 1.189 12.885 1.00 0.00 C ATOM 880 CD ARG A 226 4.473 1.077 13.691 1.00 0.00 C ATOM 881 NE ARG A 226 4.393 1.995 14.856 1.00 0.00 N ATOM 882 CZ ARG A 226 5.224 1.852 15.848 1.00 0.00 C ATOM 883 NH1 ARG A 226 6.094 0.880 15.825 1.00 0.00 N ATOM 884 NH2 ARG A 226 5.186 2.676 16.862 1.00 0.00 N ATOM 0 H ARG A 226 2.762 -1.346 9.796 1.00 0.00 H new ATOM 0 HA ARG A 226 1.102 0.145 11.567 1.00 0.00 H new ATOM 0 HB2 ARG A 226 3.363 -0.817 12.104 1.00 0.00 H new ATOM 0 HB3 ARG A 226 4.104 0.407 11.093 1.00 0.00 H new ATOM 0 HG2 ARG A 226 3.066 2.204 12.508 1.00 0.00 H new ATOM 0 HG3 ARG A 226 2.325 0.980 13.519 1.00 0.00 H new ATOM 0 HD2 ARG A 226 4.618 0.051 14.029 1.00 0.00 H new ATOM 0 HD3 ARG A 226 5.331 1.332 13.069 1.00 0.00 H new ATOM 0 HE ARG A 226 3.690 2.734 14.879 1.00 0.00 H new ATOM 0 HH11 ARG A 226 6.120 0.238 15.033 1.00 0.00 H new ATOM 0 HH12 ARG A 226 6.748 0.762 16.599 1.00 0.00 H new ATOM 0 HH21 ARG A 226 4.504 3.434 16.878 1.00 0.00 H new ATOM 0 HH22 ARG A 226 5.839 2.561 17.637 1.00 0.00 H new ATOM 898 N ARG A 227 2.600 1.850 9.169 1.00 0.00 N ATOM 899 CA ARG A 227 2.555 3.145 8.435 1.00 0.00 C ATOM 900 C ARG A 227 1.146 3.346 7.862 1.00 0.00 C ATOM 901 O ARG A 227 0.610 4.435 7.870 1.00 0.00 O ATOM 902 CB ARG A 227 3.595 3.122 7.313 1.00 0.00 C ATOM 903 CG ARG A 227 5.002 3.242 7.919 1.00 0.00 C ATOM 904 CD ARG A 227 5.249 4.677 8.430 1.00 0.00 C ATOM 905 NE ARG A 227 6.676 5.054 8.190 1.00 0.00 N ATOM 906 CZ ARG A 227 7.659 4.284 8.563 1.00 0.00 C ATOM 907 NH1 ARG A 227 7.444 3.233 9.302 1.00 0.00 N ATOM 908 NH2 ARG A 227 8.876 4.591 8.215 1.00 0.00 N ATOM 0 H ARG A 227 3.225 1.150 8.769 1.00 0.00 H new ATOM 0 HA ARG A 227 2.784 3.971 9.108 1.00 0.00 H new ATOM 0 HB2 ARG A 227 3.510 2.197 6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 227 3.415 3.942 6.618 1.00 0.00 H new ATOM 0 HG2 ARG A 227 5.113 2.533 8.740 1.00 0.00 H new ATOM 0 HG3 ARG A 227 5.750 2.982 7.170 1.00 0.00 H new ATOM 0 HD2 ARG A 227 4.586 5.375 7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 227 5.019 4.740 9.494 1.00 0.00 H new ATOM 0 HE ARG A 227 6.885 5.936 7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 227 6.495 3.003 9.597 1.00 0.00 H new ATOM 0 HH12 ARG A 227 8.224 2.641 9.585 1.00 0.00 H new ATOM 0 HH21 ARG A 227 9.051 5.426 7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 227 9.654 3.996 8.501 1.00 0.00 H new ATOM 922 N ILE A 228 0.543 2.297 7.366 1.00 0.00 N ATOM 923 CA ILE A 228 -0.833 2.413 6.794 1.00 0.00 C ATOM 924 C ILE A 228 -1.802 2.877 7.894 1.00 0.00 C ATOM 925 O ILE A 228 -2.695 3.664 7.659 1.00 0.00 O ATOM 926 CB ILE A 228 -1.287 1.047 6.257 1.00 0.00 C ATOM 927 CG1 ILE A 228 -0.346 0.565 5.127 1.00 0.00 C ATOM 928 CG2 ILE A 228 -2.716 1.174 5.734 1.00 0.00 C ATOM 929 CD1 ILE A 228 -0.752 1.138 3.761 1.00 0.00 C ATOM 0 H ILE A 228 0.946 1.360 7.332 1.00 0.00 H new ATOM 0 HA ILE A 228 -0.827 3.137 5.979 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.251 0.312 7.061 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.678 0.862 5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.360 -0.524 5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.050 0.210 5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.373 1.489 6.544 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.746 1.914 4.934 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -0.066 0.775 2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -1.766 0.820 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -0.712 2.227 3.797 1.00 0.00 H new ATOM 941 N GLN A 229 -1.638 2.369 9.088 1.00 0.00 N ATOM 942 CA GLN A 229 -2.549 2.753 10.208 1.00 0.00 C ATOM 943 C GLN A 229 -2.357 4.233 10.564 1.00 0.00 C ATOM 944 O GLN A 229 -3.227 4.857 11.142 1.00 0.00 O ATOM 945 CB GLN A 229 -2.239 1.892 11.435 1.00 0.00 C ATOM 946 CG GLN A 229 -2.631 0.443 11.148 1.00 0.00 C ATOM 947 CD GLN A 229 -2.319 -0.416 12.368 1.00 0.00 C ATOM 948 OE1 GLN A 229 -3.118 -0.522 13.276 1.00 0.00 O ATOM 949 NE2 GLN A 229 -1.178 -1.039 12.423 1.00 0.00 N ATOM 0 H GLN A 229 -0.908 1.701 9.337 1.00 0.00 H new ATOM 0 HA GLN A 229 -3.581 2.593 9.895 1.00 0.00 H new ATOM 0 HB2 GLN A 229 -1.178 1.953 11.677 1.00 0.00 H new ATOM 0 HB3 GLN A 229 -2.786 2.264 12.302 1.00 0.00 H new ATOM 0 HG2 GLN A 229 -3.693 0.382 10.908 1.00 0.00 H new ATOM 0 HG3 GLN A 229 -2.087 0.072 10.279 1.00 0.00 H new ATOM 0 HE21 GLN A 229 -0.510 -0.947 11.658 1.00 0.00 H new ATOM 0 HE22 GLN A 229 -0.952 -1.619 13.231 1.00 0.00 H new ATOM 958 N GLN A 230 -1.229 4.800 10.232 1.00 0.00 N ATOM 959 CA GLN A 230 -0.986 6.235 10.556 1.00 0.00 C ATOM 960 C GLN A 230 -1.708 7.125 9.535 1.00 0.00 C ATOM 961 O GLN A 230 -1.789 8.326 9.707 1.00 0.00 O ATOM 962 CB GLN A 230 0.515 6.513 10.498 1.00 0.00 C ATOM 963 CG GLN A 230 1.214 5.798 11.658 1.00 0.00 C ATOM 964 CD GLN A 230 0.918 6.528 12.971 1.00 0.00 C ATOM 965 OE1 GLN A 230 0.434 5.933 13.913 1.00 0.00 O ATOM 966 NE2 GLN A 230 1.202 7.801 13.075 1.00 0.00 N ATOM 0 H GLN A 230 -0.463 4.330 9.749 1.00 0.00 H new ATOM 0 HA GLN A 230 -1.365 6.453 11.555 1.00 0.00 H new ATOM 0 HB2 GLN A 230 0.922 6.170 9.547 1.00 0.00 H new ATOM 0 HB3 GLN A 230 0.699 7.586 10.555 1.00 0.00 H new ATOM 0 HG2 GLN A 230 0.871 4.765 11.720 1.00 0.00 H new ATOM 0 HG3 GLN A 230 2.289 5.767 11.483 1.00 0.00 H new ATOM 0 HE21 GLN A 230 1.608 8.299 12.283 1.00 0.00 H new ATOM 0 HE22 GLN A 230 1.017 8.295 13.948 1.00 0.00 H new ATOM 975 N LEU A 231 -2.246 6.559 8.478 1.00 0.00 N ATOM 976 CA LEU A 231 -2.965 7.407 7.479 1.00 0.00 C ATOM 977 C LEU A 231 -4.216 7.977 8.158 1.00 0.00 C ATOM 978 O LEU A 231 -4.165 9.023 8.774 1.00 0.00 O ATOM 979 CB LEU A 231 -3.370 6.556 6.265 1.00 0.00 C ATOM 980 CG LEU A 231 -2.124 5.924 5.628 1.00 0.00 C ATOM 981 CD1 LEU A 231 -2.546 5.063 4.429 1.00 0.00 C ATOM 982 CD2 LEU A 231 -1.149 7.017 5.158 1.00 0.00 C ATOM 0 H LEU A 231 -2.218 5.561 8.268 1.00 0.00 H new ATOM 0 HA LEU A 231 -2.320 8.215 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -4.066 5.776 6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -3.888 7.175 5.533 1.00 0.00 H new ATOM 0 HG LEU A 231 -1.623 5.303 6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -1.663 4.613 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -3.221 4.276 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -3.054 5.687 3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 231 -0.271 6.553 4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -1.641 7.651 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -0.843 7.623 6.011 1.00 0.00 H new ATOM 994 N ASP A 232 -5.326 7.287 8.083 1.00 0.00 N ATOM 995 CA ASP A 232 -6.565 7.789 8.753 1.00 0.00 C ATOM 996 C ASP A 232 -7.692 6.767 8.621 1.00 0.00 C ATOM 997 O ASP A 232 -7.751 6.004 7.683 1.00 0.00 O ATOM 998 CB ASP A 232 -7.027 9.092 8.091 1.00 0.00 C ATOM 999 CG ASP A 232 -8.123 9.742 8.943 1.00 0.00 C ATOM 1000 OD1 ASP A 232 -7.779 10.434 9.887 1.00 0.00 O ATOM 1001 OD2 ASP A 232 -9.287 9.537 8.634 1.00 0.00 O ATOM 0 H ASP A 232 -5.428 6.401 7.589 1.00 0.00 H new ATOM 0 HA ASP A 232 -6.335 7.958 9.805 1.00 0.00 H new ATOM 0 HB2 ASP A 232 -6.184 9.775 7.982 1.00 0.00 H new ATOM 0 HB3 ASP A 232 -7.404 8.889 7.089 1.00 0.00 H new ATOM 1006 N GLU A 233 -8.612 6.782 9.541 1.00 0.00 N ATOM 1007 CA GLU A 233 -9.763 5.849 9.452 1.00 0.00 C ATOM 1008 C GLU A 233 -10.505 6.140 8.152 1.00 0.00 C ATOM 1009 O GLU A 233 -11.026 5.257 7.499 1.00 0.00 O ATOM 1010 CB GLU A 233 -10.699 6.078 10.632 1.00 0.00 C ATOM 1011 CG GLU A 233 -10.036 5.591 11.919 1.00 0.00 C ATOM 1012 CD GLU A 233 -10.987 5.828 13.092 1.00 0.00 C ATOM 1013 OE1 GLU A 233 -12.078 6.318 12.850 1.00 0.00 O ATOM 1014 OE2 GLU A 233 -10.611 5.516 14.210 1.00 0.00 O ATOM 0 H GLU A 233 -8.616 7.401 10.351 1.00 0.00 H new ATOM 0 HA GLU A 233 -9.416 4.816 9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -10.942 7.137 10.715 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -11.638 5.547 10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -9.794 4.531 11.839 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -9.098 6.121 12.083 1.00 0.00 H new ATOM 1021 N ALA A 234 -10.545 7.386 7.775 1.00 0.00 N ATOM 1022 CA ALA A 234 -11.235 7.768 6.516 1.00 0.00 C ATOM 1023 C ALA A 234 -10.544 7.077 5.354 1.00 0.00 C ATOM 1024 O ALA A 234 -11.141 6.810 4.329 1.00 0.00 O ATOM 1025 CB ALA A 234 -11.151 9.278 6.326 1.00 0.00 C ATOM 0 H ALA A 234 -10.126 8.161 8.289 1.00 0.00 H new ATOM 0 HA ALA A 234 -12.282 7.469 6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 234 -11.657 9.557 5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 234 -11.630 9.778 7.168 1.00 0.00 H new ATOM 0 HB3 ALA A 234 -10.105 9.580 6.272 1.00 0.00 H new ATOM 1031 N MET A 235 -9.290 6.775 5.512 1.00 0.00 N ATOM 1032 CA MET A 235 -8.557 6.091 4.426 1.00 0.00 C ATOM 1033 C MET A 235 -9.262 4.763 4.133 1.00 0.00 C ATOM 1034 O MET A 235 -9.419 4.375 2.993 1.00 0.00 O ATOM 1035 CB MET A 235 -7.118 5.848 4.874 1.00 0.00 C ATOM 1036 CG MET A 235 -6.272 5.362 3.693 1.00 0.00 C ATOM 1037 SD MET A 235 -6.699 3.647 3.285 1.00 0.00 S ATOM 1038 CE MET A 235 -6.152 2.881 4.833 1.00 0.00 C ATOM 0 H MET A 235 -8.743 6.974 6.349 1.00 0.00 H new ATOM 0 HA MET A 235 -8.542 6.700 3.522 1.00 0.00 H new ATOM 0 HB2 MET A 235 -6.695 6.767 5.280 1.00 0.00 H new ATOM 0 HB3 MET A 235 -7.098 5.108 5.674 1.00 0.00 H new ATOM 0 HG2 MET A 235 -6.440 6.003 2.827 1.00 0.00 H new ATOM 0 HG3 MET A 235 -5.213 5.432 3.941 1.00 0.00 H new ATOM 0 HE1 MET A 235 -5.481 2.051 4.611 1.00 0.00 H new ATOM 0 HE2 MET A 235 -5.628 3.620 5.439 1.00 0.00 H new ATOM 0 HE3 MET A 235 -7.018 2.510 5.381 1.00 0.00 H new ATOM 1048 N VAL A 236 -9.710 4.069 5.148 1.00 0.00 N ATOM 1049 CA VAL A 236 -10.431 2.788 4.907 1.00 0.00 C ATOM 1050 C VAL A 236 -11.695 3.100 4.110 1.00 0.00 C ATOM 1051 O VAL A 236 -12.066 2.391 3.194 1.00 0.00 O ATOM 1052 CB VAL A 236 -10.815 2.171 6.254 1.00 0.00 C ATOM 1053 CG1 VAL A 236 -11.765 0.992 6.038 1.00 0.00 C ATOM 1054 CG2 VAL A 236 -9.553 1.683 6.966 1.00 0.00 C ATOM 0 H VAL A 236 -9.607 4.334 6.128 1.00 0.00 H new ATOM 0 HA VAL A 236 -9.802 2.088 4.357 1.00 0.00 H new ATOM 0 HB VAL A 236 -11.314 2.924 6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -12.033 0.559 7.002 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -12.666 1.339 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -11.274 0.236 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -9.824 1.243 7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -9.055 0.934 6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -8.879 2.524 7.130 1.00 0.00 H new ATOM 1064 N VAL A 237 -12.342 4.178 4.448 1.00 0.00 N ATOM 1065 CA VAL A 237 -13.575 4.581 3.724 1.00 0.00 C ATOM 1066 C VAL A 237 -13.193 4.961 2.293 1.00 0.00 C ATOM 1067 O VAL A 237 -13.962 4.800 1.369 1.00 0.00 O ATOM 1068 CB VAL A 237 -14.217 5.773 4.442 1.00 0.00 C ATOM 1069 CG1 VAL A 237 -15.298 6.402 3.554 1.00 0.00 C ATOM 1070 CG2 VAL A 237 -14.840 5.286 5.758 1.00 0.00 C ATOM 0 H VAL A 237 -12.065 4.804 5.204 1.00 0.00 H new ATOM 0 HA VAL A 237 -14.293 3.761 3.702 1.00 0.00 H new ATOM 0 HB VAL A 237 -13.457 6.526 4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 237 -15.748 7.248 4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 237 -14.849 6.745 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 237 -16.066 5.660 3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 237 -15.300 6.128 6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 237 -15.599 4.533 5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 237 -14.065 4.851 6.389 1.00 0.00 H new ATOM 1080 N ALA A 238 -12.002 5.462 2.115 1.00 0.00 N ATOM 1081 CA ALA A 238 -11.528 5.859 0.756 1.00 0.00 C ATOM 1082 C ALA A 238 -11.536 4.636 -0.167 1.00 0.00 C ATOM 1083 O ALA A 238 -11.504 4.758 -1.377 1.00 0.00 O ATOM 1084 CB ALA A 238 -10.097 6.394 0.872 1.00 0.00 C ATOM 0 H ALA A 238 -11.326 5.616 2.863 1.00 0.00 H new ATOM 0 HA ALA A 238 -12.184 6.626 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 238 -9.737 6.688 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 238 -10.084 7.259 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 238 -9.450 5.616 1.277 1.00 0.00 H new