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 121:sc= 1.43 USER MOD Set 1.2: A 223 THR OG1 : rot 68:sc= 1.27 USER MOD Single : A 186 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.29) USER MOD Single : A 192 TYR OH : rot 180:sc= 0 USER MOD Single : A 197 LYS NZ :NH3+ -136:sc= -2.45! (180deg=-4.74!) 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 -152:sc= -2.91! USER MOD Single : A 214 HIS : no HD1:sc= -5.85! K(o=-5.9!,f=-4) USER MOD Single : A 217 SER OG : rot 180:sc= 0 USER MOD Single : A 229 GLN : amide:sc= -4.5! C(o=-4.5!,f=-5.3!) USER MOD Single : A 230 GLN : amide:sc= -0.829 X(o=-0.83,f=-0.89) USER MOD Single : A 235 MET CE :methyl -112:sc= -0.954 (180deg=-7.61!) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 181 12.084 3.000 -1.621 1.00 0.00 N ATOM 136 CA ASP A 181 11.694 3.349 -3.006 1.00 0.00 C ATOM 137 C ASP A 181 10.271 3.919 -3.006 1.00 0.00 C ATOM 138 O ASP A 181 9.321 3.261 -2.632 1.00 0.00 O ATOM 139 CB ASP A 181 11.767 2.089 -3.874 1.00 0.00 C ATOM 140 CG ASP A 181 13.227 1.795 -4.222 1.00 0.00 C ATOM 141 OD1 ASP A 181 13.756 2.471 -5.088 1.00 0.00 O ATOM 142 OD2 ASP A 181 13.792 0.902 -3.612 1.00 0.00 O ATOM 0 HA ASP A 181 12.371 4.102 -3.410 1.00 0.00 H new ATOM 0 HB2 ASP A 181 11.331 1.243 -3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 181 11.185 2.228 -4.785 1.00 0.00 H new ATOM 147 N GLU A 182 10.123 5.148 -3.425 1.00 0.00 N ATOM 148 CA GLU A 182 8.776 5.776 -3.463 1.00 0.00 C ATOM 149 C GLU A 182 7.863 4.973 -4.392 1.00 0.00 C ATOM 150 O GLU A 182 6.692 4.790 -4.127 1.00 0.00 O ATOM 151 CB GLU A 182 8.898 7.220 -3.957 1.00 0.00 C ATOM 152 CG GLU A 182 7.522 7.890 -3.906 1.00 0.00 C ATOM 153 CD GLU A 182 7.652 9.354 -4.336 1.00 0.00 C ATOM 154 OE1 GLU A 182 8.234 9.597 -5.379 1.00 0.00 O ATOM 155 OE2 GLU A 182 7.168 10.208 -3.610 1.00 0.00 O ATOM 0 H GLU A 182 10.885 5.746 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 182 8.345 5.780 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 182 9.606 7.770 -3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 182 9.286 7.237 -4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 182 6.826 7.367 -4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 182 7.114 7.831 -2.897 1.00 0.00 H new ATOM 162 N ASP A 183 8.396 4.517 -5.493 1.00 0.00 N ATOM 163 CA ASP A 183 7.585 3.743 -6.474 1.00 0.00 C ATOM 164 C ASP A 183 7.019 2.477 -5.832 1.00 0.00 C ATOM 165 O ASP A 183 5.897 2.093 -6.095 1.00 0.00 O ATOM 166 CB ASP A 183 8.472 3.340 -7.652 1.00 0.00 C ATOM 167 CG ASP A 183 8.799 4.563 -8.509 1.00 0.00 C ATOM 168 OD1 ASP A 183 9.680 5.315 -8.125 1.00 0.00 O ATOM 169 OD2 ASP A 183 8.165 4.723 -9.539 1.00 0.00 O ATOM 0 H ASP A 183 9.372 4.650 -5.757 1.00 0.00 H new ATOM 0 HA ASP A 183 6.759 4.370 -6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 183 9.393 2.887 -7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 183 7.966 2.588 -8.257 1.00 0.00 H new ATOM 174 N ALA A 184 7.791 1.808 -5.016 1.00 0.00 N ATOM 175 CA ALA A 184 7.289 0.550 -4.395 1.00 0.00 C ATOM 176 C ALA A 184 6.205 0.888 -3.377 1.00 0.00 C ATOM 177 O ALA A 184 5.147 0.294 -3.374 1.00 0.00 O ATOM 178 CB ALA A 184 8.450 -0.186 -3.704 1.00 0.00 C ATOM 0 H ALA A 184 8.740 2.077 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 184 6.870 -0.097 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 184 8.080 -1.106 -3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 184 9.217 -0.427 -4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 184 8.877 0.453 -2.931 1.00 0.00 H new ATOM 184 N TRP A 185 6.456 1.834 -2.515 1.00 0.00 N ATOM 185 CA TRP A 185 5.433 2.202 -1.503 1.00 0.00 C ATOM 186 C TRP A 185 4.171 2.701 -2.205 1.00 0.00 C ATOM 187 O TRP A 185 3.068 2.317 -1.874 1.00 0.00 O ATOM 188 CB TRP A 185 5.993 3.287 -0.582 1.00 0.00 C ATOM 189 CG TRP A 185 4.968 3.619 0.451 1.00 0.00 C ATOM 190 CD1 TRP A 185 4.327 4.807 0.567 1.00 0.00 C ATOM 191 CD2 TRP A 185 4.447 2.764 1.507 1.00 0.00 C ATOM 192 NE1 TRP A 185 3.437 4.730 1.624 1.00 0.00 N ATOM 193 CE2 TRP A 185 3.475 3.491 2.234 1.00 0.00 C ATOM 194 CE3 TRP A 185 4.716 1.438 1.899 1.00 0.00 C ATOM 195 CZ2 TRP A 185 2.793 2.925 3.309 1.00 0.00 C ATOM 196 CZ3 TRP A 185 4.029 0.863 2.984 1.00 0.00 C ATOM 197 CH2 TRP A 185 3.068 1.607 3.686 1.00 0.00 C ATOM 0 H TRP A 185 7.325 2.366 -2.469 1.00 0.00 H new ATOM 0 HA TRP A 185 5.179 1.327 -0.905 1.00 0.00 H new ATOM 0 HB2 TRP A 185 6.910 2.941 -0.106 1.00 0.00 H new ATOM 0 HB3 TRP A 185 6.249 4.176 -1.159 1.00 0.00 H new ATOM 0 HD1 TRP A 185 4.485 5.671 -0.061 1.00 0.00 H new ATOM 0 HE1 TRP A 185 2.828 5.494 1.917 1.00 0.00 H new ATOM 0 HE3 TRP A 185 5.454 0.859 1.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 2.056 3.501 3.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 4.242 -0.154 3.278 1.00 0.00 H new ATOM 0 HH2 TRP A 185 2.541 1.162 4.517 1.00 0.00 H new ATOM 208 N GLN A 186 4.322 3.540 -3.185 1.00 0.00 N ATOM 209 CA GLN A 186 3.127 4.044 -3.907 1.00 0.00 C ATOM 210 C GLN A 186 2.389 2.857 -4.526 1.00 0.00 C ATOM 211 O GLN A 186 1.173 2.826 -4.568 1.00 0.00 O ATOM 212 CB GLN A 186 3.566 5.029 -4.996 1.00 0.00 C ATOM 213 CG GLN A 186 4.052 6.326 -4.344 1.00 0.00 C ATOM 214 CD GLN A 186 2.851 7.053 -3.743 1.00 0.00 C ATOM 215 OE1 GLN A 186 1.947 7.445 -4.456 1.00 0.00 O ATOM 216 NE2 GLN A 186 2.795 7.241 -2.457 1.00 0.00 N ATOM 0 H GLN A 186 5.218 3.898 -3.517 1.00 0.00 H new ATOM 0 HA GLN A 186 2.460 4.562 -3.218 1.00 0.00 H new ATOM 0 HB2 GLN A 186 4.362 4.591 -5.598 1.00 0.00 H new ATOM 0 HB3 GLN A 186 2.735 5.237 -5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 186 4.787 6.107 -3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 186 4.545 6.958 -5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 186 3.554 6.912 -1.860 1.00 0.00 H new ATOM 0 HE22 GLN A 186 1.992 7.718 -2.046 1.00 0.00 H new ATOM 225 N PHE A 187 3.116 1.879 -5.001 1.00 0.00 N ATOM 226 CA PHE A 187 2.463 0.696 -5.619 1.00 0.00 C ATOM 227 C PHE A 187 1.546 0.038 -4.587 1.00 0.00 C ATOM 228 O PHE A 187 0.388 -0.218 -4.850 1.00 0.00 O ATOM 229 CB PHE A 187 3.558 -0.295 -6.032 1.00 0.00 C ATOM 230 CG PHE A 187 3.000 -1.323 -6.999 1.00 0.00 C ATOM 231 CD1 PHE A 187 2.129 -2.324 -6.547 1.00 0.00 C ATOM 232 CD2 PHE A 187 3.362 -1.275 -8.353 1.00 0.00 C ATOM 233 CE1 PHE A 187 1.620 -3.269 -7.448 1.00 0.00 C ATOM 234 CE2 PHE A 187 2.850 -2.223 -9.250 1.00 0.00 C ATOM 235 CZ PHE A 187 1.980 -3.216 -8.797 1.00 0.00 C ATOM 0 H PHE A 187 4.136 1.852 -4.986 1.00 0.00 H new ATOM 0 HA PHE A 187 1.877 0.993 -6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 187 4.386 0.240 -6.497 1.00 0.00 H new ATOM 0 HB3 PHE A 187 3.957 -0.795 -5.150 1.00 0.00 H new ATOM 0 HD1 PHE A 187 1.850 -2.367 -5.504 1.00 0.00 H new ATOM 0 HD2 PHE A 187 4.035 -0.507 -8.705 1.00 0.00 H new ATOM 0 HE1 PHE A 187 0.948 -4.039 -7.099 1.00 0.00 H new ATOM 0 HE2 PHE A 187 3.129 -2.185 -10.293 1.00 0.00 H new ATOM 0 HZ PHE A 187 1.585 -3.944 -9.490 1.00 0.00 H new ATOM 245 N LEU A 188 2.044 -0.217 -3.409 1.00 0.00 N ATOM 246 CA LEU A 188 1.190 -0.846 -2.360 1.00 0.00 C ATOM 247 C LEU A 188 -0.009 0.072 -2.078 1.00 0.00 C ATOM 248 O LEU A 188 -1.145 -0.359 -2.062 1.00 0.00 O ATOM 249 CB LEU A 188 2.030 -1.038 -1.084 1.00 0.00 C ATOM 250 CG LEU A 188 1.192 -1.648 0.050 1.00 0.00 C ATOM 251 CD1 LEU A 188 0.655 -3.028 -0.364 1.00 0.00 C ATOM 252 CD2 LEU A 188 2.087 -1.797 1.287 1.00 0.00 C ATOM 0 H LEU A 188 3.004 -0.018 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 188 0.824 -1.816 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 188 2.880 -1.685 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 188 2.434 -0.078 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 188 0.344 -0.998 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 188 0.063 -3.447 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 188 0.030 -2.924 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 188 1.491 -3.692 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 188 1.509 -2.229 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 188 2.927 -2.450 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 188 2.461 -0.818 1.585 1.00 0.00 H new ATOM 264 N ILE A 189 0.247 1.339 -1.864 1.00 0.00 N ATOM 265 CA ILE A 189 -0.856 2.317 -1.583 1.00 0.00 C ATOM 266 C ILE A 189 -1.800 2.458 -2.793 1.00 0.00 C ATOM 267 O ILE A 189 -3.000 2.581 -2.638 1.00 0.00 O ATOM 268 CB ILE A 189 -0.251 3.692 -1.257 1.00 0.00 C ATOM 269 CG1 ILE A 189 0.665 3.607 -0.016 1.00 0.00 C ATOM 270 CG2 ILE A 189 -1.374 4.703 -1.010 1.00 0.00 C ATOM 271 CD1 ILE A 189 -0.086 3.049 1.202 1.00 0.00 C ATOM 0 H ILE A 189 1.183 1.744 -1.872 1.00 0.00 H new ATOM 0 HA ILE A 189 -1.431 1.944 -0.735 1.00 0.00 H new ATOM 0 HB ILE A 189 0.351 4.018 -2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 189 1.522 2.972 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 189 1.055 4.598 0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 189 -0.942 5.677 -0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 189 -1.994 4.783 -1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 189 -1.986 4.369 -0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 189 0.589 3.003 2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 189 -0.928 3.699 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 189 -0.453 2.048 0.976 1.00 0.00 H new ATOM 283 N ALA A 190 -1.273 2.477 -3.990 1.00 0.00 N ATOM 284 CA ALA A 190 -2.150 2.659 -5.188 1.00 0.00 C ATOM 285 C ALA A 190 -3.184 1.530 -5.278 1.00 0.00 C ATOM 286 O ALA A 190 -4.321 1.760 -5.610 1.00 0.00 O ATOM 287 CB ALA A 190 -1.286 2.639 -6.454 1.00 0.00 C ATOM 0 H ALA A 190 -0.278 2.375 -4.191 1.00 0.00 H new ATOM 0 HA ALA A 190 -2.671 3.612 -5.096 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -1.921 2.771 -7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -0.556 3.447 -6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -0.765 1.684 -6.524 1.00 0.00 H new ATOM 293 N ASP A 191 -2.818 0.317 -4.995 1.00 0.00 N ATOM 294 CA ASP A 191 -3.824 -0.787 -5.087 1.00 0.00 C ATOM 295 C ASP A 191 -4.833 -0.691 -3.935 1.00 0.00 C ATOM 296 O ASP A 191 -6.008 -0.931 -4.110 1.00 0.00 O ATOM 297 CB ASP A 191 -3.111 -2.138 -5.041 1.00 0.00 C ATOM 298 CG ASP A 191 -2.463 -2.424 -6.395 1.00 0.00 C ATOM 299 OD1 ASP A 191 -3.191 -2.752 -7.318 1.00 0.00 O ATOM 300 OD2 ASP A 191 -1.252 -2.313 -6.486 1.00 0.00 O ATOM 0 H ASP A 191 -1.881 0.037 -4.707 1.00 0.00 H new ATOM 0 HA ASP A 191 -4.363 -0.693 -6.030 1.00 0.00 H new ATOM 0 HB2 ASP A 191 -2.353 -2.134 -4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 191 -3.821 -2.927 -4.793 1.00 0.00 H new ATOM 305 N TYR A 192 -4.373 -0.369 -2.760 1.00 0.00 N ATOM 306 CA TYR A 192 -5.288 -0.277 -1.579 1.00 0.00 C ATOM 307 C TYR A 192 -6.374 0.803 -1.779 1.00 0.00 C ATOM 308 O TYR A 192 -7.517 0.626 -1.400 1.00 0.00 O ATOM 309 CB TYR A 192 -4.444 0.076 -0.348 1.00 0.00 C ATOM 310 CG TYR A 192 -5.203 -0.252 0.915 1.00 0.00 C ATOM 311 CD1 TYR A 192 -6.143 0.652 1.422 1.00 0.00 C ATOM 312 CD2 TYR A 192 -4.953 -1.455 1.584 1.00 0.00 C ATOM 313 CE1 TYR A 192 -6.839 0.354 2.603 1.00 0.00 C ATOM 314 CE2 TYR A 192 -5.644 -1.754 2.765 1.00 0.00 C ATOM 315 CZ TYR A 192 -6.590 -0.849 3.276 1.00 0.00 C ATOM 316 OH TYR A 192 -7.276 -1.146 4.442 1.00 0.00 O ATOM 0 H TYR A 192 -3.394 -0.163 -2.561 1.00 0.00 H new ATOM 0 HA TYR A 192 -5.794 -1.234 -1.451 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -3.505 -0.477 -0.371 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -4.190 1.136 -0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -6.333 1.580 0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -4.228 -2.152 1.190 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -7.566 1.051 2.993 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -5.450 -2.681 3.284 1.00 0.00 H new ATOM 0 HH TYR A 192 -6.985 -2.019 4.780 1.00 0.00 H new ATOM 326 N LEU A 193 -6.019 1.936 -2.329 1.00 0.00 N ATOM 327 CA LEU A 193 -7.015 3.038 -2.501 1.00 0.00 C ATOM 328 C LEU A 193 -8.050 2.698 -3.590 1.00 0.00 C ATOM 329 O LEU A 193 -9.205 3.050 -3.476 1.00 0.00 O ATOM 330 CB LEU A 193 -6.279 4.341 -2.856 1.00 0.00 C ATOM 331 CG LEU A 193 -5.305 4.738 -1.728 1.00 0.00 C ATOM 332 CD1 LEU A 193 -4.576 6.025 -2.130 1.00 0.00 C ATOM 333 CD2 LEU A 193 -6.066 4.964 -0.406 1.00 0.00 C ATOM 0 H LEU A 193 -5.080 2.147 -2.667 1.00 0.00 H new ATOM 0 HA LEU A 193 -7.554 3.164 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -5.731 4.213 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -7.002 5.141 -3.018 1.00 0.00 H new ATOM 0 HG LEU A 193 -4.587 3.932 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -3.885 6.314 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -4.021 5.856 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.303 6.822 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -5.361 5.243 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -6.796 5.763 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -6.580 4.046 -0.121 1.00 0.00 H new ATOM 345 N ARG A 194 -7.671 2.031 -4.643 1.00 0.00 N ATOM 346 CA ARG A 194 -8.684 1.706 -5.696 1.00 0.00 C ATOM 347 C ARG A 194 -9.646 0.634 -5.156 1.00 0.00 C ATOM 348 O ARG A 194 -9.294 -0.132 -4.287 1.00 0.00 O ATOM 349 CB ARG A 194 -7.970 1.206 -6.966 1.00 0.00 C ATOM 350 CG ARG A 194 -7.483 2.400 -7.813 1.00 0.00 C ATOM 351 CD ARG A 194 -6.782 3.446 -6.931 1.00 0.00 C ATOM 352 NE ARG A 194 -6.028 4.411 -7.794 1.00 0.00 N ATOM 353 CZ ARG A 194 -5.059 4.020 -8.566 1.00 0.00 C ATOM 354 NH1 ARG A 194 -4.595 2.803 -8.479 1.00 0.00 N ATOM 355 NH2 ARG A 194 -4.517 4.869 -9.390 1.00 0.00 N ATOM 0 H ARG A 194 -6.723 1.700 -4.823 1.00 0.00 H new ATOM 0 HA ARG A 194 -9.255 2.599 -5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -7.123 0.577 -6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -8.649 0.588 -7.553 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -6.797 2.049 -8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -8.330 2.858 -8.325 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -7.517 3.980 -6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -6.100 2.953 -6.238 1.00 0.00 H new ATOM 0 HE ARG A 194 -6.282 5.399 -7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -4.993 2.152 -7.802 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -3.834 2.503 -9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -4.854 5.831 -9.425 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -3.756 4.572 -10.000 1.00 0.00 H new ATOM 369 N PRO A 195 -10.865 0.600 -5.641 1.00 0.00 N ATOM 370 CA PRO A 195 -11.892 -0.377 -5.164 1.00 0.00 C ATOM 371 C PRO A 195 -11.469 -1.831 -5.381 1.00 0.00 C ATOM 372 O PRO A 195 -12.258 -2.742 -5.241 1.00 0.00 O ATOM 373 CB PRO A 195 -13.156 -0.018 -5.966 1.00 0.00 C ATOM 374 CG PRO A 195 -12.656 0.735 -7.155 1.00 0.00 C ATOM 375 CD PRO A 195 -11.403 1.474 -6.693 1.00 0.00 C ATOM 0 HA PRO A 195 -12.048 -0.307 -4.087 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -13.701 -0.913 -6.266 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -13.841 0.589 -5.373 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -12.427 0.057 -7.977 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -13.409 1.434 -7.518 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -10.691 1.608 -7.508 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -11.639 2.467 -6.310 1.00 0.00 H new ATOM 383 N GLU A 196 -10.229 -2.060 -5.691 1.00 0.00 N ATOM 384 CA GLU A 196 -9.774 -3.461 -5.878 1.00 0.00 C ATOM 385 C GLU A 196 -9.990 -4.205 -4.554 1.00 0.00 C ATOM 386 O GLU A 196 -10.383 -5.355 -4.529 1.00 0.00 O ATOM 387 CB GLU A 196 -8.284 -3.488 -6.252 1.00 0.00 C ATOM 388 CG GLU A 196 -8.073 -2.939 -7.668 1.00 0.00 C ATOM 389 CD GLU A 196 -8.659 -3.908 -8.691 1.00 0.00 C ATOM 390 OE1 GLU A 196 -8.290 -5.070 -8.655 1.00 0.00 O ATOM 391 OE2 GLU A 196 -9.463 -3.470 -9.497 1.00 0.00 O ATOM 0 H GLU A 196 -9.514 -1.344 -5.823 1.00 0.00 H new ATOM 0 HA GLU A 196 -10.337 -3.936 -6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -7.713 -2.895 -5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -7.907 -4.509 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -8.549 -1.963 -7.764 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -7.009 -2.795 -7.857 1.00 0.00 H new ATOM 398 N LYS A 197 -9.741 -3.549 -3.449 1.00 0.00 N ATOM 399 CA LYS A 197 -9.937 -4.203 -2.125 1.00 0.00 C ATOM 400 C LYS A 197 -9.218 -5.563 -2.091 1.00 0.00 C ATOM 401 O LYS A 197 -9.835 -6.595 -1.911 1.00 0.00 O ATOM 402 CB LYS A 197 -11.437 -4.407 -1.893 1.00 0.00 C ATOM 403 CG LYS A 197 -12.142 -3.047 -1.799 1.00 0.00 C ATOM 404 CD LYS A 197 -13.649 -3.231 -2.024 1.00 0.00 C ATOM 405 CE LYS A 197 -14.225 -4.173 -0.961 1.00 0.00 C ATOM 406 NZ LYS A 197 -13.961 -5.580 -1.368 1.00 0.00 N ATOM 0 H LYS A 197 -9.409 -2.585 -3.409 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.520 -3.570 -1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -11.863 -4.992 -2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -11.598 -4.974 -0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -11.962 -2.600 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -11.734 -2.362 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -14.153 -2.265 -1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -13.830 -3.638 -3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -13.770 -3.970 0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -15.297 -4.007 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -14.816 -6.152 -1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -13.703 -5.607 -2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -13.180 -5.965 -0.800 1.00 0.00 H new ATOM 420 N PRO A 198 -7.918 -5.564 -2.256 1.00 0.00 N ATOM 421 CA PRO A 198 -7.098 -6.810 -2.236 1.00 0.00 C ATOM 422 C PRO A 198 -6.721 -7.210 -0.800 1.00 0.00 C ATOM 423 O PRO A 198 -6.542 -6.364 0.055 1.00 0.00 O ATOM 424 CB PRO A 198 -5.852 -6.406 -3.025 1.00 0.00 C ATOM 425 CG PRO A 198 -5.671 -4.952 -2.712 1.00 0.00 C ATOM 426 CD PRO A 198 -7.078 -4.375 -2.477 1.00 0.00 C ATOM 0 HA PRO A 198 -7.622 -7.671 -2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 198 -4.983 -6.989 -2.722 1.00 0.00 H new ATOM 0 HB3 PRO A 198 -5.988 -6.569 -4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 198 -5.046 -4.821 -1.829 1.00 0.00 H new ATOM 0 HG3 PRO A 198 -5.173 -4.438 -3.534 1.00 0.00 H new ATOM 0 HD2 PRO A 198 -7.097 -3.707 -1.616 1.00 0.00 H new ATOM 0 HD3 PRO A 198 -7.421 -3.798 -3.335 1.00 0.00 H new ATOM 434 N ALA A 199 -6.586 -8.479 -0.524 1.00 0.00 N ATOM 435 CA ALA A 199 -6.209 -8.895 0.864 1.00 0.00 C ATOM 436 C ALA A 199 -4.775 -8.421 1.152 1.00 0.00 C ATOM 437 O ALA A 199 -3.882 -8.591 0.349 1.00 0.00 O ATOM 438 CB ALA A 199 -6.295 -10.421 0.990 1.00 0.00 C ATOM 0 H ALA A 199 -6.718 -9.241 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 199 -6.893 -8.447 1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 199 -6.020 -10.719 2.002 1.00 0.00 H new ATOM 0 HB2 ALA A 199 -7.314 -10.747 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 199 -5.613 -10.884 0.277 1.00 0.00 H new ATOM 444 N PHE A 200 -4.556 -7.804 2.280 1.00 0.00 N ATOM 445 CA PHE A 200 -3.192 -7.291 2.607 1.00 0.00 C ATOM 446 C PHE A 200 -2.164 -8.429 2.681 1.00 0.00 C ATOM 447 O PHE A 200 -1.028 -8.278 2.271 1.00 0.00 O ATOM 448 CB PHE A 200 -3.234 -6.581 3.959 1.00 0.00 C ATOM 449 CG PHE A 200 -1.861 -6.044 4.290 1.00 0.00 C ATOM 450 CD1 PHE A 200 -1.480 -4.779 3.829 1.00 0.00 C ATOM 451 CD2 PHE A 200 -0.969 -6.810 5.053 1.00 0.00 C ATOM 452 CE1 PHE A 200 -0.209 -4.278 4.129 1.00 0.00 C ATOM 453 CE2 PHE A 200 0.301 -6.306 5.353 1.00 0.00 C ATOM 454 CZ PHE A 200 0.681 -5.040 4.892 1.00 0.00 C ATOM 0 H PHE A 200 -5.264 -7.631 2.993 1.00 0.00 H new ATOM 0 HA PHE A 200 -2.892 -6.604 1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 200 -3.958 -5.766 3.931 1.00 0.00 H new ATOM 0 HB3 PHE A 200 -3.562 -7.273 4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 200 -2.168 -4.189 3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 200 -1.261 -7.787 5.408 1.00 0.00 H new ATOM 0 HE1 PHE A 200 0.085 -3.302 3.771 1.00 0.00 H new ATOM 0 HE2 PHE A 200 0.989 -6.895 5.941 1.00 0.00 H new ATOM 0 HZ PHE A 200 1.661 -4.652 5.126 1.00 0.00 H new ATOM 464 N ARG A 201 -2.536 -9.547 3.244 1.00 0.00 N ATOM 465 CA ARG A 201 -1.556 -10.667 3.403 1.00 0.00 C ATOM 466 C ARG A 201 -1.016 -11.134 2.041 1.00 0.00 C ATOM 467 O ARG A 201 0.181 -11.252 1.863 1.00 0.00 O ATOM 468 CB ARG A 201 -2.268 -11.843 4.085 1.00 0.00 C ATOM 469 CG ARG A 201 -1.257 -12.924 4.497 1.00 0.00 C ATOM 470 CD ARG A 201 -0.560 -12.549 5.814 1.00 0.00 C ATOM 471 NE ARG A 201 0.136 -13.761 6.329 1.00 0.00 N ATOM 472 CZ ARG A 201 1.009 -13.661 7.288 1.00 0.00 C ATOM 473 NH1 ARG A 201 1.240 -12.503 7.834 1.00 0.00 N ATOM 474 NH2 ARG A 201 1.644 -14.719 7.712 1.00 0.00 N ATOM 0 H ARG A 201 -3.473 -9.736 3.601 1.00 0.00 H new ATOM 0 HA ARG A 201 -0.716 -10.315 4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 201 -2.807 -11.488 4.963 1.00 0.00 H new ATOM 0 HB3 ARG A 201 -3.008 -12.269 3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 201 -1.767 -13.881 4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 201 -0.513 -13.051 3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 201 0.153 -11.741 5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 201 -1.288 -12.190 6.541 1.00 0.00 H new ATOM 0 HE ARG A 201 -0.073 -14.675 5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 201 0.737 -11.677 7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 201 1.924 -12.421 8.586 1.00 0.00 H new ATOM 0 HH21 ARG A 201 1.457 -15.629 7.291 1.00 0.00 H new ATOM 0 HH22 ARG A 201 2.328 -14.636 8.464 1.00 0.00 H new ATOM 488 N LYS A 202 -1.860 -11.411 1.082 1.00 0.00 N ATOM 489 CA LYS A 202 -1.331 -11.886 -0.241 1.00 0.00 C ATOM 490 C LYS A 202 -0.860 -10.696 -1.083 1.00 0.00 C ATOM 491 O LYS A 202 -0.054 -10.839 -1.981 1.00 0.00 O ATOM 492 CB LYS A 202 -2.420 -12.660 -1.008 1.00 0.00 C ATOM 493 CG LYS A 202 -3.482 -11.703 -1.559 1.00 0.00 C ATOM 494 CD LYS A 202 -4.646 -12.527 -2.108 1.00 0.00 C ATOM 495 CE LYS A 202 -5.589 -11.621 -2.895 1.00 0.00 C ATOM 496 NZ LYS A 202 -6.740 -12.419 -3.409 1.00 0.00 N ATOM 0 H LYS A 202 -2.875 -11.333 1.149 1.00 0.00 H new ATOM 0 HA LYS A 202 -0.487 -12.549 -0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 202 -1.967 -13.218 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 202 -2.889 -13.389 -0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 202 -3.831 -11.033 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 202 -3.057 -11.079 -2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 202 -4.270 -13.323 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 202 -5.184 -13.005 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 202 -5.950 -10.814 -2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 202 -5.056 -11.158 -3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 202 -7.381 -11.799 -3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 202 -6.388 -13.174 -4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 202 -7.255 -12.841 -2.610 1.00 0.00 H new ATOM 510 N CYS A 203 -1.376 -9.530 -0.815 1.00 0.00 N ATOM 511 CA CYS A 203 -0.978 -8.333 -1.615 1.00 0.00 C ATOM 512 C CYS A 203 0.518 -8.045 -1.428 1.00 0.00 C ATOM 513 O CYS A 203 1.224 -7.740 -2.371 1.00 0.00 O ATOM 514 CB CYS A 203 -1.810 -7.123 -1.164 1.00 0.00 C ATOM 515 SG CYS A 203 -1.260 -5.637 -2.048 1.00 0.00 S ATOM 0 H CYS A 203 -2.057 -9.351 -0.077 1.00 0.00 H new ATOM 0 HA CYS A 203 -1.163 -8.526 -2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 203 -2.867 -7.303 -1.359 1.00 0.00 H new ATOM 0 HB3 CYS A 203 -1.705 -6.978 -0.089 1.00 0.00 H new ATOM 0 HG CYS A 203 -1.968 -4.617 -1.664 1.00 0.00 H new ATOM 521 N TYR A 204 1.009 -8.139 -0.222 1.00 0.00 N ATOM 522 CA TYR A 204 2.449 -7.874 0.024 1.00 0.00 C ATOM 523 C TYR A 204 3.301 -8.853 -0.785 1.00 0.00 C ATOM 524 O TYR A 204 4.314 -8.489 -1.347 1.00 0.00 O ATOM 525 CB TYR A 204 2.740 -8.064 1.506 1.00 0.00 C ATOM 526 CG TYR A 204 4.165 -7.659 1.776 1.00 0.00 C ATOM 527 CD1 TYR A 204 5.192 -8.602 1.664 1.00 0.00 C ATOM 528 CD2 TYR A 204 4.459 -6.334 2.119 1.00 0.00 C ATOM 529 CE1 TYR A 204 6.516 -8.221 1.901 1.00 0.00 C ATOM 530 CE2 TYR A 204 5.786 -5.952 2.355 1.00 0.00 C ATOM 531 CZ TYR A 204 6.814 -6.897 2.245 1.00 0.00 C ATOM 532 OH TYR A 204 8.119 -6.526 2.483 1.00 0.00 O ATOM 0 H TYR A 204 0.469 -8.390 0.606 1.00 0.00 H new ATOM 0 HA TYR A 204 2.689 -6.854 -0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 204 2.057 -7.462 2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 204 2.583 -9.104 1.791 1.00 0.00 H new ATOM 0 HD1 TYR A 204 4.963 -9.622 1.395 1.00 0.00 H new ATOM 0 HD2 TYR A 204 3.664 -5.608 2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 204 7.310 -8.949 1.819 1.00 0.00 H new ATOM 0 HE2 TYR A 204 6.016 -4.931 2.621 1.00 0.00 H new ATOM 0 HH TYR A 204 8.136 -5.776 3.113 1.00 0.00 H new ATOM 542 N GLU A 205 2.905 -10.099 -0.846 1.00 0.00 N ATOM 543 CA GLU A 205 3.705 -11.084 -1.625 1.00 0.00 C ATOM 544 C GLU A 205 3.771 -10.633 -3.081 1.00 0.00 C ATOM 545 O GLU A 205 4.800 -10.712 -3.723 1.00 0.00 O ATOM 546 CB GLU A 205 3.043 -12.454 -1.557 1.00 0.00 C ATOM 547 CG GLU A 205 3.203 -13.026 -0.151 1.00 0.00 C ATOM 548 CD GLU A 205 2.509 -14.386 -0.076 1.00 0.00 C ATOM 549 OE1 GLU A 205 1.299 -14.419 -0.226 1.00 0.00 O ATOM 550 OE2 GLU A 205 3.199 -15.372 0.125 1.00 0.00 O ATOM 0 H GLU A 205 2.070 -10.472 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 205 4.710 -11.146 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 205 1.986 -12.372 -1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 205 3.495 -13.125 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 205 4.260 -13.131 0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 205 2.772 -12.344 0.582 1.00 0.00 H new ATOM 557 N ARG A 206 2.678 -10.149 -3.608 1.00 0.00 N ATOM 558 CA ARG A 206 2.687 -9.677 -5.017 1.00 0.00 C ATOM 559 C ARG A 206 3.688 -8.529 -5.125 1.00 0.00 C ATOM 560 O ARG A 206 4.442 -8.430 -6.072 1.00 0.00 O ATOM 561 CB ARG A 206 1.275 -9.197 -5.394 1.00 0.00 C ATOM 562 CG ARG A 206 1.204 -8.756 -6.874 1.00 0.00 C ATOM 563 CD ARG A 206 1.060 -9.979 -7.785 1.00 0.00 C ATOM 564 NE ARG A 206 1.081 -9.552 -9.225 1.00 0.00 N ATOM 565 CZ ARG A 206 0.184 -8.731 -9.716 1.00 0.00 C ATOM 566 NH1 ARG A 206 -0.858 -8.388 -9.012 1.00 0.00 N ATOM 567 NH2 ARG A 206 0.308 -8.282 -10.938 1.00 0.00 N ATOM 0 H ARG A 206 1.785 -10.062 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 206 2.975 -10.479 -5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 206 0.558 -9.998 -5.217 1.00 0.00 H new ATOM 0 HB3 ARG A 206 0.988 -8.365 -4.751 1.00 0.00 H new ATOM 0 HG2 ARG A 206 0.359 -8.083 -7.020 1.00 0.00 H new ATOM 0 HG3 ARG A 206 2.103 -8.200 -7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 206 1.870 -10.683 -7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 206 0.128 -10.499 -7.565 1.00 0.00 H new ATOM 0 HE ARG A 206 1.813 -9.911 -9.838 1.00 0.00 H new ATOM 0 HH11 ARG A 206 -0.981 -8.759 -8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 206 -1.550 -7.749 -9.403 1.00 0.00 H new ATOM 0 HH21 ARG A 206 1.102 -8.570 -11.509 1.00 0.00 H new ATOM 0 HH22 ARG A 206 -0.390 -7.643 -11.320 1.00 0.00 H new ATOM 581 N LEU A 207 3.710 -7.671 -4.143 1.00 0.00 N ATOM 582 CA LEU A 207 4.670 -6.536 -4.160 1.00 0.00 C ATOM 583 C LEU A 207 6.096 -7.098 -4.150 1.00 0.00 C ATOM 584 O LEU A 207 6.985 -6.584 -4.804 1.00 0.00 O ATOM 585 CB LEU A 207 4.446 -5.654 -2.928 1.00 0.00 C ATOM 586 CG LEU A 207 5.406 -4.452 -2.942 1.00 0.00 C ATOM 587 CD1 LEU A 207 5.051 -3.496 -4.096 1.00 0.00 C ATOM 588 CD2 LEU A 207 5.284 -3.712 -1.609 1.00 0.00 C ATOM 0 H LEU A 207 3.100 -7.709 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 207 4.519 -5.933 -5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 207 3.414 -5.302 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 207 4.601 -6.239 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 207 6.427 -4.805 -3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 207 5.739 -2.651 -4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 207 5.132 -4.026 -5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 207 4.031 -3.134 -3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 207 5.960 -2.857 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 207 4.259 -3.366 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 207 5.546 -4.386 -0.793 1.00 0.00 H new ATOM 600 N GLU A 208 6.330 -8.143 -3.391 1.00 0.00 N ATOM 601 CA GLU A 208 7.707 -8.709 -3.330 1.00 0.00 C ATOM 602 C GLU A 208 8.137 -9.093 -4.738 1.00 0.00 C ATOM 603 O GLU A 208 9.259 -8.846 -5.137 1.00 0.00 O ATOM 604 CB GLU A 208 7.743 -9.958 -2.434 1.00 0.00 C ATOM 605 CG GLU A 208 7.603 -9.545 -0.972 1.00 0.00 C ATOM 606 CD GLU A 208 7.694 -10.784 -0.086 1.00 0.00 C ATOM 607 OE1 GLU A 208 6.915 -11.697 -0.298 1.00 0.00 O ATOM 608 OE2 GLU A 208 8.544 -10.798 0.787 1.00 0.00 O ATOM 0 H GLU A 208 5.633 -8.621 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 208 8.381 -7.962 -2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 208 6.937 -10.638 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 208 8.679 -10.497 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 208 8.387 -8.836 -0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 208 6.650 -9.041 -0.815 1.00 0.00 H new ATOM 615 N LEU A 209 7.253 -9.661 -5.511 1.00 0.00 N ATOM 616 CA LEU A 209 7.626 -10.016 -6.907 1.00 0.00 C ATOM 617 C LEU A 209 7.940 -8.726 -7.667 1.00 0.00 C ATOM 618 O LEU A 209 8.870 -8.663 -8.446 1.00 0.00 O ATOM 619 CB LEU A 209 6.451 -10.719 -7.591 1.00 0.00 C ATOM 620 CG LEU A 209 6.136 -12.029 -6.863 1.00 0.00 C ATOM 621 CD1 LEU A 209 4.816 -12.594 -7.394 1.00 0.00 C ATOM 622 CD2 LEU A 209 7.263 -13.058 -7.095 1.00 0.00 C ATOM 0 H LEU A 209 6.298 -9.893 -5.239 1.00 0.00 H new ATOM 0 HA LEU A 209 8.491 -10.679 -6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 209 5.575 -10.070 -7.587 1.00 0.00 H new ATOM 0 HB3 LEU A 209 6.693 -10.921 -8.634 1.00 0.00 H new ATOM 0 HG LEU A 209 6.055 -11.831 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 209 4.586 -13.527 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 209 4.015 -11.876 -7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 209 4.905 -12.782 -8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 209 7.024 -13.984 -6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 209 7.358 -13.259 -8.162 1.00 0.00 H new ATOM 0 HD23 LEU A 209 8.204 -12.659 -6.716 1.00 0.00 H new ATOM 634 N ALA A 210 7.167 -7.695 -7.436 1.00 0.00 N ATOM 635 CA ALA A 210 7.408 -6.398 -8.137 1.00 0.00 C ATOM 636 C ALA A 210 8.748 -5.820 -7.680 1.00 0.00 C ATOM 637 O ALA A 210 9.512 -5.294 -8.465 1.00 0.00 O ATOM 638 CB ALA A 210 6.271 -5.423 -7.805 1.00 0.00 C ATOM 0 H ALA A 210 6.377 -7.696 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 210 7.437 -6.557 -9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 210 6.444 -4.475 -8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 210 5.322 -5.845 -8.135 1.00 0.00 H new ATOM 0 HB3 ALA A 210 6.238 -5.255 -6.729 1.00 0.00 H new ATOM 644 N ALA A 211 9.036 -5.925 -6.413 1.00 0.00 N ATOM 645 CA ALA A 211 10.323 -5.399 -5.894 1.00 0.00 C ATOM 646 C ALA A 211 11.478 -6.102 -6.602 1.00 0.00 C ATOM 647 O ALA A 211 12.476 -5.496 -6.922 1.00 0.00 O ATOM 648 CB ALA A 211 10.422 -5.657 -4.390 1.00 0.00 C ATOM 0 H ALA A 211 8.431 -6.355 -5.714 1.00 0.00 H new ATOM 0 HA ALA A 211 10.373 -4.326 -6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 211 11.369 -5.268 -4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 211 9.598 -5.158 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 211 10.370 -6.729 -4.201 1.00 0.00 H new ATOM 654 N ARG A 212 11.362 -7.379 -6.835 1.00 0.00 N ATOM 655 CA ARG A 212 12.467 -8.108 -7.510 1.00 0.00 C ATOM 656 C ARG A 212 12.616 -7.596 -8.944 1.00 0.00 C ATOM 657 O ARG A 212 13.711 -7.434 -9.443 1.00 0.00 O ATOM 658 CB ARG A 212 12.124 -9.601 -7.543 1.00 0.00 C ATOM 659 CG ARG A 212 12.186 -10.173 -6.122 1.00 0.00 C ATOM 660 CD ARG A 212 11.807 -11.658 -6.143 1.00 0.00 C ATOM 661 NE ARG A 212 12.897 -12.448 -6.792 1.00 0.00 N ATOM 662 CZ ARG A 212 12.905 -13.756 -6.706 1.00 0.00 C ATOM 663 NH1 ARG A 212 11.936 -14.377 -6.080 1.00 0.00 N ATOM 664 NH2 ARG A 212 13.870 -14.440 -7.268 1.00 0.00 N ATOM 0 H ARG A 212 10.552 -7.947 -6.587 1.00 0.00 H new ATOM 0 HA ARG A 212 13.400 -7.948 -6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 212 11.128 -9.747 -7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 212 12.823 -10.131 -8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 212 13.189 -10.050 -5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 212 11.507 -9.624 -5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 212 11.642 -12.015 -5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 212 10.872 -11.797 -6.686 1.00 0.00 H new ATOM 0 HE ARG A 212 13.637 -11.968 -7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 212 11.176 -13.843 -5.660 1.00 0.00 H new ATOM 0 HH12 ARG A 212 11.942 -15.395 -6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 212 14.613 -13.955 -7.771 1.00 0.00 H new ATOM 0 HH22 ARG A 212 13.879 -15.458 -7.203 1.00 0.00 H new ATOM 678 N GLU A 213 11.524 -7.342 -9.618 1.00 0.00 N ATOM 679 CA GLU A 213 11.617 -6.852 -11.022 1.00 0.00 C ATOM 680 C GLU A 213 12.253 -5.461 -11.048 1.00 0.00 C ATOM 681 O GLU A 213 13.100 -5.170 -11.869 1.00 0.00 O ATOM 682 CB GLU A 213 10.211 -6.775 -11.624 1.00 0.00 C ATOM 683 CG GLU A 213 10.295 -6.319 -13.084 1.00 0.00 C ATOM 684 CD GLU A 213 8.889 -6.298 -13.682 1.00 0.00 C ATOM 685 OE1 GLU A 213 8.009 -5.744 -13.048 1.00 0.00 O ATOM 686 OE2 GLU A 213 8.716 -6.838 -14.764 1.00 0.00 O ATOM 0 H GLU A 213 10.576 -7.453 -9.257 1.00 0.00 H new ATOM 0 HA GLU A 213 12.233 -7.539 -11.602 1.00 0.00 H new ATOM 0 HB2 GLU A 213 9.727 -7.750 -11.565 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.598 -6.079 -11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 213 10.744 -5.327 -13.143 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.936 -6.993 -13.652 1.00 0.00 H new ATOM 693 N HIS A 214 11.834 -4.592 -10.164 1.00 0.00 N ATOM 694 CA HIS A 214 12.394 -3.202 -10.139 1.00 0.00 C ATOM 695 C HIS A 214 13.576 -3.102 -9.156 1.00 0.00 C ATOM 696 O HIS A 214 14.309 -2.132 -9.153 1.00 0.00 O ATOM 697 CB HIS A 214 11.296 -2.229 -9.707 1.00 0.00 C ATOM 698 CG HIS A 214 10.216 -2.175 -10.759 1.00 0.00 C ATOM 699 ND1 HIS A 214 10.368 -1.466 -11.939 1.00 0.00 N ATOM 700 CD2 HIS A 214 8.966 -2.749 -10.829 1.00 0.00 C ATOM 701 CE1 HIS A 214 9.244 -1.632 -12.662 1.00 0.00 C ATOM 702 NE2 HIS A 214 8.358 -2.405 -12.032 1.00 0.00 N ATOM 0 H HIS A 214 11.126 -4.784 -9.455 1.00 0.00 H new ATOM 0 HA HIS A 214 12.752 -2.952 -11.138 1.00 0.00 H new ATOM 0 HB2 HIS A 214 10.872 -2.545 -8.754 1.00 0.00 H new ATOM 0 HB3 HIS A 214 11.718 -1.235 -9.555 1.00 0.00 H new ATOM 0 HD2 HIS A 214 8.525 -3.372 -10.065 1.00 0.00 H new ATOM 0 HE1 HIS A 214 9.080 -1.192 -13.635 1.00 0.00 H new ATOM 0 HE2 HIS A 214 7.434 -2.684 -12.361 1.00 0.00 H new ATOM 710 N GLY A 215 13.757 -4.082 -8.317 1.00 0.00 N ATOM 711 CA GLY A 215 14.882 -4.039 -7.331 1.00 0.00 C ATOM 712 C GLY A 215 14.547 -3.057 -6.206 1.00 0.00 C ATOM 713 O GLY A 215 15.422 -2.509 -5.563 1.00 0.00 O ATOM 0 H GLY A 215 13.173 -4.917 -8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 215 15.055 -5.033 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 215 15.803 -3.736 -7.829 1.00 0.00 H new ATOM 717 N TRP A 216 13.289 -2.824 -5.963 1.00 0.00 N ATOM 718 CA TRP A 216 12.913 -1.869 -4.881 1.00 0.00 C ATOM 719 C TRP A 216 13.215 -2.474 -3.513 1.00 0.00 C ATOM 720 O TRP A 216 12.997 -3.645 -3.278 1.00 0.00 O ATOM 721 CB TRP A 216 11.414 -1.566 -4.911 1.00 0.00 C ATOM 722 CG TRP A 216 10.999 -0.864 -6.172 1.00 0.00 C ATOM 723 CD1 TRP A 216 11.666 0.148 -6.784 1.00 0.00 C ATOM 724 CD2 TRP A 216 9.795 -1.089 -6.959 1.00 0.00 C ATOM 725 NE1 TRP A 216 10.955 0.537 -7.907 1.00 0.00 N ATOM 726 CE2 TRP A 216 9.794 -0.192 -8.055 1.00 0.00 C ATOM 727 CE3 TRP A 216 8.716 -1.983 -6.834 1.00 0.00 C ATOM 728 CZ2 TRP A 216 8.762 -0.178 -8.990 1.00 0.00 C ATOM 729 CZ3 TRP A 216 7.674 -1.967 -7.770 1.00 0.00 C ATOM 730 CH2 TRP A 216 7.695 -1.065 -8.846 1.00 0.00 C ATOM 0 H TRP A 216 12.508 -3.249 -6.462 1.00 0.00 H new ATOM 0 HA TRP A 216 13.489 -0.958 -5.045 1.00 0.00 H new ATOM 0 HB2 TRP A 216 10.856 -2.497 -4.816 1.00 0.00 H new ATOM 0 HB3 TRP A 216 11.153 -0.948 -4.051 1.00 0.00 H new ATOM 0 HD1 TRP A 216 12.598 0.579 -6.450 1.00 0.00 H new ATOM 0 HE1 TRP A 216 11.254 1.273 -8.547 1.00 0.00 H new ATOM 0 HE3 TRP A 216 8.691 -2.684 -6.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 8.788 0.513 -9.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 6.848 -2.654 -7.663 1.00 0.00 H new ATOM 0 HH2 TRP A 216 6.886 -1.058 -9.561 1.00 0.00 H new ATOM 741 N SER A 217 13.659 -1.667 -2.587 1.00 0.00 N ATOM 742 CA SER A 217 13.909 -2.174 -1.210 1.00 0.00 C ATOM 743 C SER A 217 12.623 -1.942 -0.416 1.00 0.00 C ATOM 744 O SER A 217 12.245 -0.815 -0.167 1.00 0.00 O ATOM 745 CB SER A 217 15.049 -1.394 -0.563 1.00 0.00 C ATOM 746 OG SER A 217 16.192 -1.441 -1.400 1.00 0.00 O ATOM 0 H SER A 217 13.859 -0.677 -2.727 1.00 0.00 H new ATOM 0 HA SER A 217 14.184 -3.229 -1.229 1.00 0.00 H new ATOM 0 HB2 SER A 217 14.748 -0.359 -0.399 1.00 0.00 H new ATOM 0 HB3 SER A 217 15.284 -1.816 0.414 1.00 0.00 H new ATOM 0 HG SER A 217 16.923 -0.938 -0.984 1.00 0.00 H new ATOM 752 N ILE A 218 11.927 -2.984 -0.047 1.00 0.00 N ATOM 753 CA ILE A 218 10.640 -2.802 0.694 1.00 0.00 C ATOM 754 C ILE A 218 10.888 -2.888 2.210 1.00 0.00 C ATOM 755 O ILE A 218 11.784 -3.580 2.654 1.00 0.00 O ATOM 756 CB ILE A 218 9.668 -3.908 0.259 1.00 0.00 C ATOM 757 CG1 ILE A 218 10.154 -5.258 0.807 1.00 0.00 C ATOM 758 CG2 ILE A 218 9.619 -3.959 -1.272 1.00 0.00 C ATOM 759 CD1 ILE A 218 9.367 -6.399 0.161 1.00 0.00 C ATOM 0 H ILE A 218 12.192 -3.953 -0.225 1.00 0.00 H new ATOM 0 HA ILE A 218 10.217 -1.823 0.469 1.00 0.00 H new ATOM 0 HB ILE A 218 8.672 -3.700 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 218 11.218 -5.380 0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 218 10.029 -5.287 1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 218 8.930 -4.743 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 218 9.277 -2.998 -1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 218 10.615 -4.172 -1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 218 9.718 -7.352 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 218 8.307 -6.282 0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 218 9.514 -6.377 -0.919 1.00 0.00 H new ATOM 771 N PRO A 219 10.096 -2.208 3.006 1.00 0.00 N ATOM 772 CA PRO A 219 10.245 -2.245 4.488 1.00 0.00 C ATOM 773 C PRO A 219 9.685 -3.546 5.075 1.00 0.00 C ATOM 774 O PRO A 219 9.082 -4.338 4.380 1.00 0.00 O ATOM 775 CB PRO A 219 9.422 -1.039 4.950 1.00 0.00 C ATOM 776 CG PRO A 219 8.343 -0.902 3.923 1.00 0.00 C ATOM 777 CD PRO A 219 8.976 -1.330 2.597 1.00 0.00 C ATOM 0 HA PRO A 219 11.286 -2.207 4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 219 9.005 -1.201 5.944 1.00 0.00 H new ATOM 0 HB3 PRO A 219 10.034 -0.139 5.004 1.00 0.00 H new ATOM 0 HG2 PRO A 219 7.487 -1.530 4.169 1.00 0.00 H new ATOM 0 HG3 PRO A 219 7.981 0.125 3.870 1.00 0.00 H new ATOM 0 HD2 PRO A 219 8.262 -1.860 1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 219 9.329 -0.471 2.027 1.00 0.00 H new ATOM 785 N SER A 220 9.874 -3.777 6.344 1.00 0.00 N ATOM 786 CA SER A 220 9.340 -5.029 6.948 1.00 0.00 C ATOM 787 C SER A 220 7.818 -5.049 6.799 1.00 0.00 C ATOM 788 O SER A 220 7.169 -4.022 6.803 1.00 0.00 O ATOM 789 CB SER A 220 9.721 -5.089 8.431 1.00 0.00 C ATOM 790 OG SER A 220 8.844 -4.265 9.187 1.00 0.00 O ATOM 0 H SER A 220 10.371 -3.158 6.985 1.00 0.00 H new ATOM 0 HA SER A 220 9.765 -5.894 6.438 1.00 0.00 H new ATOM 0 HB2 SER A 220 9.667 -6.117 8.788 1.00 0.00 H new ATOM 0 HB3 SER A 220 10.751 -4.759 8.565 1.00 0.00 H new ATOM 0 HG SER A 220 8.383 -4.809 9.859 1.00 0.00 H new ATOM 796 N ARG A 221 7.248 -6.209 6.656 1.00 0.00 N ATOM 797 CA ARG A 221 5.766 -6.297 6.497 1.00 0.00 C ATOM 798 C ARG A 221 5.071 -5.674 7.706 1.00 0.00 C ATOM 799 O ARG A 221 4.074 -4.993 7.569 1.00 0.00 O ATOM 800 CB ARG A 221 5.345 -7.758 6.387 1.00 0.00 C ATOM 801 CG ARG A 221 5.792 -8.310 5.038 1.00 0.00 C ATOM 802 CD ARG A 221 5.371 -9.773 4.925 1.00 0.00 C ATOM 803 NE ARG A 221 5.995 -10.554 6.030 1.00 0.00 N ATOM 804 CZ ARG A 221 5.549 -11.747 6.315 1.00 0.00 C ATOM 805 NH1 ARG A 221 4.544 -12.244 5.649 1.00 0.00 N ATOM 806 NH2 ARG A 221 6.111 -12.454 7.256 1.00 0.00 N ATOM 0 H ARG A 221 7.740 -7.102 6.642 1.00 0.00 H new ATOM 0 HA ARG A 221 5.480 -5.759 5.593 1.00 0.00 H new ATOM 0 HB2 ARG A 221 5.789 -8.338 7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 221 4.263 -7.846 6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 221 5.348 -7.729 4.230 1.00 0.00 H new ATOM 0 HG3 ARG A 221 6.874 -8.222 4.937 1.00 0.00 H new ATOM 0 HD2 ARG A 221 4.285 -9.855 4.975 1.00 0.00 H new ATOM 0 HD3 ARG A 221 5.678 -10.178 3.960 1.00 0.00 H new ATOM 0 HE ARG A 221 6.769 -10.157 6.563 1.00 0.00 H new ATOM 0 HH11 ARG A 221 4.106 -11.700 4.905 1.00 0.00 H new ATOM 0 HH12 ARG A 221 4.196 -13.176 5.872 1.00 0.00 H new ATOM 0 HH21 ARG A 221 6.904 -12.075 7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 221 5.758 -13.386 7.474 1.00 0.00 H new ATOM 820 N ALA A 222 5.585 -5.898 8.887 1.00 0.00 N ATOM 821 CA ALA A 222 4.951 -5.308 10.096 1.00 0.00 C ATOM 822 C ALA A 222 4.982 -3.783 9.976 1.00 0.00 C ATOM 823 O ALA A 222 4.035 -3.103 10.313 1.00 0.00 O ATOM 824 CB ALA A 222 5.724 -5.751 11.342 1.00 0.00 C ATOM 0 H ALA A 222 6.415 -6.464 9.063 1.00 0.00 H new ATOM 0 HA ALA A 222 3.918 -5.645 10.181 1.00 0.00 H new ATOM 0 HB1 ALA A 222 5.261 -5.320 12.230 1.00 0.00 H new ATOM 0 HB2 ALA A 222 5.705 -6.838 11.415 1.00 0.00 H new ATOM 0 HB3 ALA A 222 6.757 -5.410 11.270 1.00 0.00 H new ATOM 830 N THR A 223 6.064 -3.249 9.483 1.00 0.00 N ATOM 831 CA THR A 223 6.178 -1.772 9.320 1.00 0.00 C ATOM 832 C THR A 223 5.154 -1.263 8.295 1.00 0.00 C ATOM 833 O THR A 223 4.581 -0.204 8.460 1.00 0.00 O ATOM 834 CB THR A 223 7.588 -1.430 8.843 1.00 0.00 C ATOM 835 OG1 THR A 223 8.530 -1.837 9.831 1.00 0.00 O ATOM 836 CG2 THR A 223 7.699 0.075 8.606 1.00 0.00 C ATOM 0 H THR A 223 6.883 -3.778 9.183 1.00 0.00 H new ATOM 0 HA THR A 223 5.980 -1.292 10.278 1.00 0.00 H new ATOM 0 HB THR A 223 7.796 -1.952 7.909 1.00 0.00 H new ATOM 0 HG1 THR A 223 8.547 -2.815 9.883 1.00 0.00 H new ATOM 0 HG21 THR A 223 8.706 0.316 8.266 1.00 0.00 H new ATOM 0 HG22 THR A 223 6.977 0.378 7.848 1.00 0.00 H new ATOM 0 HG23 THR A 223 7.493 0.606 9.535 1.00 0.00 H new ATOM 844 N ALA A 224 4.946 -1.987 7.226 1.00 0.00 N ATOM 845 CA ALA A 224 3.990 -1.517 6.175 1.00 0.00 C ATOM 846 C ALA A 224 2.596 -1.323 6.776 1.00 0.00 C ATOM 847 O ALA A 224 2.031 -0.253 6.711 1.00 0.00 O ATOM 848 CB ALA A 224 3.917 -2.572 5.060 1.00 0.00 C ATOM 0 H ALA A 224 5.395 -2.882 7.034 1.00 0.00 H new ATOM 0 HA ALA A 224 4.338 -0.566 5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 224 3.223 -2.239 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 224 4.906 -2.709 4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 224 3.570 -3.518 5.476 1.00 0.00 H new ATOM 854 N PHE A 225 2.041 -2.339 7.372 1.00 0.00 N ATOM 855 CA PHE A 225 0.684 -2.193 7.972 1.00 0.00 C ATOM 856 C PHE A 225 0.711 -1.106 9.040 1.00 0.00 C ATOM 857 O PHE A 225 -0.199 -0.310 9.143 1.00 0.00 O ATOM 858 CB PHE A 225 0.264 -3.520 8.603 1.00 0.00 C ATOM 859 CG PHE A 225 -1.077 -3.363 9.289 1.00 0.00 C ATOM 860 CD1 PHE A 225 -2.222 -3.041 8.544 1.00 0.00 C ATOM 861 CD2 PHE A 225 -1.178 -3.548 10.677 1.00 0.00 C ATOM 862 CE1 PHE A 225 -3.457 -2.902 9.190 1.00 0.00 C ATOM 863 CE2 PHE A 225 -2.414 -3.407 11.317 1.00 0.00 C ATOM 864 CZ PHE A 225 -3.551 -3.083 10.575 1.00 0.00 C ATOM 0 H PHE A 225 2.465 -3.262 7.470 1.00 0.00 H new ATOM 0 HA PHE A 225 -0.029 -1.917 7.195 1.00 0.00 H new ATOM 0 HB2 PHE A 225 0.202 -4.293 7.837 1.00 0.00 H new ATOM 0 HB3 PHE A 225 1.015 -3.844 9.323 1.00 0.00 H new ATOM 0 HD1 PHE A 225 -2.151 -2.901 7.475 1.00 0.00 H new ATOM 0 HD2 PHE A 225 -0.299 -3.800 11.252 1.00 0.00 H new ATOM 0 HE1 PHE A 225 -4.339 -2.655 8.618 1.00 0.00 H new ATOM 0 HE2 PHE A 225 -2.488 -3.549 12.385 1.00 0.00 H new ATOM 0 HZ PHE A 225 -4.504 -2.972 11.070 1.00 0.00 H new ATOM 874 N ARG A 226 1.744 -1.051 9.829 1.00 0.00 N ATOM 875 CA ARG A 226 1.802 0.001 10.878 1.00 0.00 C ATOM 876 C ARG A 226 1.753 1.376 10.204 1.00 0.00 C ATOM 877 O ARG A 226 1.065 2.267 10.649 1.00 0.00 O ATOM 878 CB ARG A 226 3.104 -0.149 11.664 1.00 0.00 C ATOM 879 CG ARG A 226 3.167 0.925 12.750 1.00 0.00 C ATOM 880 CD ARG A 226 4.376 0.670 13.657 1.00 0.00 C ATOM 881 NE ARG A 226 5.635 0.725 12.856 1.00 0.00 N ATOM 882 CZ ARG A 226 6.794 0.814 13.458 1.00 0.00 C ATOM 883 NH1 ARG A 226 6.851 0.907 14.759 1.00 0.00 N ATOM 884 NH2 ARG A 226 7.893 0.815 12.752 1.00 0.00 N ATOM 0 H ARG A 226 2.544 -1.683 9.795 1.00 0.00 H new ATOM 0 HA ARG A 226 0.958 -0.098 11.560 1.00 0.00 H new ATOM 0 HB2 ARG A 226 3.158 -1.140 12.114 1.00 0.00 H new ATOM 0 HB3 ARG A 226 3.959 -0.056 10.994 1.00 0.00 H new ATOM 0 HG2 ARG A 226 3.243 1.912 12.295 1.00 0.00 H new ATOM 0 HG3 ARG A 226 2.250 0.915 13.339 1.00 0.00 H new ATOM 0 HD2 ARG A 226 4.408 1.415 14.452 1.00 0.00 H new ATOM 0 HD3 ARG A 226 4.282 -0.304 14.137 1.00 0.00 H new ATOM 0 HE ARG A 226 5.592 0.693 11.837 1.00 0.00 H new ATOM 0 HH11 ARG A 226 5.991 0.910 15.308 1.00 0.00 H new ATOM 0 HH12 ARG A 226 7.755 0.976 15.226 1.00 0.00 H new ATOM 0 HH21 ARG A 226 7.846 0.747 11.735 1.00 0.00 H new ATOM 0 HH22 ARG A 226 8.798 0.884 13.217 1.00 0.00 H new ATOM 898 N ARG A 227 2.451 1.537 9.115 1.00 0.00 N ATOM 899 CA ARG A 227 2.431 2.835 8.379 1.00 0.00 C ATOM 900 C ARG A 227 1.019 3.101 7.846 1.00 0.00 C ATOM 901 O ARG A 227 0.543 4.221 7.850 1.00 0.00 O ATOM 902 CB ARG A 227 3.428 2.757 7.212 1.00 0.00 C ATOM 903 CG ARG A 227 4.873 2.743 7.743 1.00 0.00 C ATOM 904 CD ARG A 227 5.352 4.178 8.012 1.00 0.00 C ATOM 905 NE ARG A 227 6.768 4.154 8.506 1.00 0.00 N ATOM 906 CZ ARG A 227 7.103 3.546 9.614 1.00 0.00 C ATOM 907 NH1 ARG A 227 6.185 3.046 10.402 1.00 0.00 N ATOM 908 NH2 ARG A 227 8.361 3.471 9.957 1.00 0.00 N ATOM 0 H ARG A 227 3.041 0.818 8.698 1.00 0.00 H new ATOM 0 HA ARG A 227 2.713 3.648 9.047 1.00 0.00 H new ATOM 0 HB2 ARG A 227 3.241 1.858 6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 227 3.286 3.608 6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 227 4.926 2.156 8.660 1.00 0.00 H new ATOM 0 HG3 ARG A 227 5.530 2.262 7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 227 5.285 4.771 7.100 1.00 0.00 H new ATOM 0 HD3 ARG A 227 4.707 4.655 8.750 1.00 0.00 H new ATOM 0 HE ARG A 227 7.490 4.626 7.962 1.00 0.00 H new ATOM 0 HH11 ARG A 227 5.199 3.129 10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 227 6.456 2.573 11.264 1.00 0.00 H new ATOM 0 HH21 ARG A 227 9.078 3.886 9.361 1.00 0.00 H new ATOM 0 HH22 ARG A 227 8.627 2.998 10.821 1.00 0.00 H new ATOM 922 N ILE A 228 0.352 2.082 7.373 1.00 0.00 N ATOM 923 CA ILE A 228 -1.022 2.279 6.822 1.00 0.00 C ATOM 924 C ILE A 228 -1.950 2.819 7.910 1.00 0.00 C ATOM 925 O ILE A 228 -2.779 3.678 7.667 1.00 0.00 O ATOM 926 CB ILE A 228 -1.574 0.939 6.335 1.00 0.00 C ATOM 927 CG1 ILE A 228 -0.667 0.366 5.222 1.00 0.00 C ATOM 928 CG2 ILE A 228 -2.997 1.154 5.813 1.00 0.00 C ATOM 929 CD1 ILE A 228 -1.058 0.914 3.852 1.00 0.00 C ATOM 0 H ILE A 228 0.698 1.123 7.344 1.00 0.00 H new ATOM 0 HA ILE A 228 -0.970 2.989 5.996 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.594 0.223 7.157 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.373 0.616 5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -0.739 -0.722 5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.403 0.205 5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -3.624 1.543 6.615 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.978 1.868 4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -0.402 0.492 3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -2.090 0.642 3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -0.961 2.000 3.853 1.00 0.00 H new ATOM 941 N GLN A 229 -1.819 2.315 9.105 1.00 0.00 N ATOM 942 CA GLN A 229 -2.690 2.781 10.223 1.00 0.00 C ATOM 943 C GLN A 229 -2.358 4.236 10.546 1.00 0.00 C ATOM 944 O GLN A 229 -3.169 4.955 11.095 1.00 0.00 O ATOM 945 CB GLN A 229 -2.452 1.910 11.470 1.00 0.00 C ATOM 946 CG GLN A 229 -3.441 2.297 12.583 1.00 0.00 C ATOM 947 CD GLN A 229 -2.945 3.546 13.314 1.00 0.00 C ATOM 948 OE1 GLN A 229 -3.645 4.535 13.392 1.00 0.00 O ATOM 949 NE2 GLN A 229 -1.764 3.543 13.861 1.00 0.00 N ATOM 0 H GLN A 229 -1.142 1.595 9.358 1.00 0.00 H new ATOM 0 HA GLN A 229 -3.735 2.699 9.925 1.00 0.00 H new ATOM 0 HB2 GLN A 229 -2.573 0.857 11.216 1.00 0.00 H new ATOM 0 HB3 GLN A 229 -1.428 2.038 11.822 1.00 0.00 H new ATOM 0 HG2 GLN A 229 -4.427 2.483 12.156 1.00 0.00 H new ATOM 0 HG3 GLN A 229 -3.549 1.472 13.287 1.00 0.00 H new ATOM 0 HE21 GLN A 229 -1.174 2.713 13.797 1.00 0.00 H new ATOM 0 HE22 GLN A 229 -1.428 4.370 14.354 1.00 0.00 H new ATOM 958 N GLN A 230 -1.169 4.677 10.219 1.00 0.00 N ATOM 959 CA GLN A 230 -0.790 6.081 10.524 1.00 0.00 C ATOM 960 C GLN A 230 -1.451 7.012 9.516 1.00 0.00 C ATOM 961 O GLN A 230 -1.449 8.214 9.681 1.00 0.00 O ATOM 962 CB GLN A 230 0.726 6.237 10.424 1.00 0.00 C ATOM 963 CG GLN A 230 1.400 5.468 11.560 1.00 0.00 C ATOM 964 CD GLN A 230 2.915 5.613 11.424 1.00 0.00 C ATOM 965 OE1 GLN A 230 3.405 6.651 11.022 1.00 0.00 O ATOM 966 NE2 GLN A 230 3.683 4.612 11.743 1.00 0.00 N ATOM 0 H GLN A 230 -0.449 4.123 9.755 1.00 0.00 H new ATOM 0 HA GLN A 230 -1.118 6.331 11.533 1.00 0.00 H new ATOM 0 HB2 GLN A 230 1.077 5.864 9.462 1.00 0.00 H new ATOM 0 HB3 GLN A 230 0.997 7.292 10.475 1.00 0.00 H new ATOM 0 HG2 GLN A 230 1.069 5.853 12.524 1.00 0.00 H new ATOM 0 HG3 GLN A 230 1.117 4.416 11.523 1.00 0.00 H new ATOM 0 HE21 GLN A 230 3.272 3.741 12.080 1.00 0.00 H new ATOM 0 HE22 GLN A 230 4.696 4.698 11.656 1.00 0.00 H new ATOM 975 N LEU A 231 -2.020 6.475 8.472 1.00 0.00 N ATOM 976 CA LEU A 231 -2.681 7.351 7.466 1.00 0.00 C ATOM 977 C LEU A 231 -3.959 7.942 8.062 1.00 0.00 C ATOM 978 O LEU A 231 -3.949 9.026 8.614 1.00 0.00 O ATOM 979 CB LEU A 231 -3.037 6.533 6.223 1.00 0.00 C ATOM 980 CG LEU A 231 -1.765 6.017 5.530 1.00 0.00 C ATOM 981 CD1 LEU A 231 -2.161 5.202 4.285 1.00 0.00 C ATOM 982 CD2 LEU A 231 -0.869 7.200 5.114 1.00 0.00 C ATOM 0 H LEU A 231 -2.056 5.475 8.273 1.00 0.00 H new ATOM 0 HA LEU A 231 -1.999 8.155 7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 231 -3.671 5.692 6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 231 -3.611 7.147 5.529 1.00 0.00 H new ATOM 0 HG LEU A 231 -1.210 5.384 6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 231 -1.262 4.834 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 231 -2.782 4.358 4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 231 -2.720 5.837 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 231 0.029 6.822 4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 231 -1.414 7.845 4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 231 -0.587 7.771 5.998 1.00 0.00 H new ATOM 994 N ASP A 232 -5.057 7.236 7.968 1.00 0.00 N ATOM 995 CA ASP A 232 -6.326 7.765 8.535 1.00 0.00 C ATOM 996 C ASP A 232 -7.432 6.719 8.417 1.00 0.00 C ATOM 997 O ASP A 232 -7.473 5.954 7.477 1.00 0.00 O ATOM 998 CB ASP A 232 -6.760 9.016 7.761 1.00 0.00 C ATOM 999 CG ASP A 232 -7.756 9.807 8.604 1.00 0.00 C ATOM 1000 OD1 ASP A 232 -7.313 10.633 9.383 1.00 0.00 O ATOM 1001 OD2 ASP A 232 -8.944 9.566 8.463 1.00 0.00 O ATOM 0 H ASP A 232 -5.126 6.320 7.524 1.00 0.00 H new ATOM 0 HA ASP A 232 -6.158 8.010 9.584 1.00 0.00 H new ATOM 0 HB2 ASP A 232 -5.892 9.633 7.527 1.00 0.00 H new ATOM 0 HB3 ASP A 232 -7.214 8.732 6.812 1.00 0.00 H new ATOM 1006 N GLU A 233 -8.343 6.697 9.352 1.00 0.00 N ATOM 1007 CA GLU A 233 -9.466 5.722 9.281 1.00 0.00 C ATOM 1008 C GLU A 233 -10.274 6.010 8.004 1.00 0.00 C ATOM 1009 O GLU A 233 -10.783 5.117 7.360 1.00 0.00 O ATOM 1010 CB GLU A 233 -10.349 5.865 10.534 1.00 0.00 C ATOM 1011 CG GLU A 233 -11.423 4.777 10.558 1.00 0.00 C ATOM 1012 CD GLU A 233 -10.769 3.404 10.695 1.00 0.00 C ATOM 1013 OE1 GLU A 233 -9.611 3.357 11.075 1.00 0.00 O ATOM 1014 OE2 GLU A 233 -11.442 2.423 10.426 1.00 0.00 O ATOM 0 H GLU A 233 -8.357 7.314 10.164 1.00 0.00 H new ATOM 0 HA GLU A 233 -9.089 4.700 9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -9.733 5.796 11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -10.819 6.849 10.545 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -12.108 4.948 11.389 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -12.015 4.818 9.644 1.00 0.00 H new ATOM 1021 N ALA A 234 -10.378 7.261 7.630 1.00 0.00 N ATOM 1022 CA ALA A 234 -11.133 7.621 6.393 1.00 0.00 C ATOM 1023 C ALA A 234 -10.500 6.902 5.210 1.00 0.00 C ATOM 1024 O ALA A 234 -11.116 6.705 4.179 1.00 0.00 O ATOM 1025 CB ALA A 234 -11.034 9.127 6.161 1.00 0.00 C ATOM 0 H ALA A 234 -9.970 8.051 8.131 1.00 0.00 H new ATOM 0 HA ALA A 234 -12.178 7.332 6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 234 -11.584 9.393 5.258 1.00 0.00 H new ATOM 0 HB2 ALA A 234 -11.459 9.655 7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 234 -9.988 9.409 6.044 1.00 0.00 H new ATOM 1031 N MET A 235 -9.272 6.497 5.352 1.00 0.00 N ATOM 1032 CA MET A 235 -8.609 5.777 4.245 1.00 0.00 C ATOM 1033 C MET A 235 -9.414 4.505 3.959 1.00 0.00 C ATOM 1034 O MET A 235 -9.476 4.034 2.842 1.00 0.00 O ATOM 1035 CB MET A 235 -7.178 5.408 4.636 1.00 0.00 C ATOM 1036 CG MET A 235 -6.470 4.730 3.447 1.00 0.00 C ATOM 1037 SD MET A 235 -4.994 3.862 4.032 1.00 0.00 S ATOM 1038 CE MET A 235 -5.831 2.641 5.078 1.00 0.00 C ATOM 0 H MET A 235 -8.703 6.635 6.187 1.00 0.00 H new ATOM 0 HA MET A 235 -8.568 6.410 3.359 1.00 0.00 H new ATOM 0 HB2 MET A 235 -6.631 6.302 4.935 1.00 0.00 H new ATOM 0 HB3 MET A 235 -7.187 4.738 5.496 1.00 0.00 H new ATOM 0 HG2 MET A 235 -7.147 4.029 2.960 1.00 0.00 H new ATOM 0 HG3 MET A 235 -6.194 5.476 2.702 1.00 0.00 H new ATOM 0 HE1 MET A 235 -5.602 2.840 6.125 1.00 0.00 H new ATOM 0 HE2 MET A 235 -6.908 2.707 4.924 1.00 0.00 H new ATOM 0 HE3 MET A 235 -5.487 1.640 4.816 1.00 0.00 H new ATOM 1048 N VAL A 236 -10.025 3.926 4.961 1.00 0.00 N ATOM 1049 CA VAL A 236 -10.806 2.683 4.712 1.00 0.00 C ATOM 1050 C VAL A 236 -11.912 3.023 3.722 1.00 0.00 C ATOM 1051 O VAL A 236 -12.185 2.295 2.787 1.00 0.00 O ATOM 1052 CB VAL A 236 -11.397 2.172 6.030 1.00 0.00 C ATOM 1053 CG1 VAL A 236 -12.332 0.984 5.760 1.00 0.00 C ATOM 1054 CG2 VAL A 236 -10.251 1.738 6.948 1.00 0.00 C ATOM 0 H VAL A 236 -10.017 4.256 5.926 1.00 0.00 H new ATOM 0 HA VAL A 236 -10.170 1.898 4.303 1.00 0.00 H new ATOM 0 HB VAL A 236 -11.973 2.965 6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -12.748 0.627 6.702 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -13.142 1.300 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -11.771 0.180 5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -10.658 1.372 7.890 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -9.680 0.944 6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -9.598 2.589 7.141 1.00 0.00 H new ATOM 1064 N VAL A 237 -12.508 4.161 3.899 1.00 0.00 N ATOM 1065 CA VAL A 237 -13.556 4.611 2.957 1.00 0.00 C ATOM 1066 C VAL A 237 -12.877 4.927 1.635 1.00 0.00 C ATOM 1067 O VAL A 237 -13.446 4.741 0.583 1.00 0.00 O ATOM 1068 CB VAL A 237 -14.229 5.866 3.508 1.00 0.00 C ATOM 1069 CG1 VAL A 237 -15.233 6.417 2.491 1.00 0.00 C ATOM 1070 CG2 VAL A 237 -14.958 5.498 4.797 1.00 0.00 C ATOM 0 H VAL A 237 -12.311 4.805 4.665 1.00 0.00 H new ATOM 0 HA VAL A 237 -14.315 3.840 2.822 1.00 0.00 H new ATOM 0 HB VAL A 237 -13.477 6.630 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 237 -15.706 7.312 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 237 -14.714 6.668 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 237 -15.994 5.664 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 237 -15.445 6.384 5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 237 -15.708 4.736 4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 237 -14.242 5.111 5.522 1.00 0.00 H new ATOM 1080 N ALA A 238 -11.656 5.404 1.689 1.00 0.00 N ATOM 1081 CA ALA A 238 -10.928 5.727 0.436 1.00 0.00 C ATOM 1082 C ALA A 238 -10.794 4.453 -0.384 1.00 0.00 C ATOM 1083 O ALA A 238 -10.948 4.457 -1.587 1.00 0.00 O ATOM 1084 CB ALA A 238 -9.545 6.281 0.775 1.00 0.00 C ATOM 0 H ALA A 238 -11.138 5.581 2.550 1.00 0.00 H new ATOM 0 HA ALA A 238 -11.473 6.478 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 238 -9.012 6.518 -0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 238 -9.652 7.185 1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 238 -8.983 5.536 1.338 1.00 0.00 H new