USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 812 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 35 THR OG1 : rot 40:sc= 0.512 USER MOD Set 1.2: A 38 SER OG : rot -110:sc= -0.582 USER MOD Single : A 16 ASN : amide:sc= -0.359 K(o=-0.36,f=-3.2!) USER MOD Single : A 17 MET CE :methyl 160:sc= -0.0383 (180deg=-0.21) USER MOD Single : A 26 CYS SG : rot 180:sc= -2.08! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -51:sc= -0.854 USER MOD Single : A 37 LYS NZ :NH3+ -119:sc= -0.0832 (180deg=-0.922) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.1) USER MOD Single : A 50 MET CE :methyl -145:sc= -0.935 (180deg=-2.83) USER MOD Single : A 60 SER OG : rot 180:sc= -0.33 USER MOD Single : A 74 SER OG : rot 180:sc= -0.277 USER MOD Single : A 77 LYS NZ :NH3+ -134:sc= -0.998 (180deg=-2.26!) USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -116:sc= -1.62 USER MOD Single : A 103 THR OG1 : rot -150:sc= -1.05 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.647 USER MOD Single : A 107 LYS NZ :NH3+ -145:sc= -0.43 (180deg=-1.43!) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.096 USER MOD Single : A 123 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0177) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 13 3.317 1.704 13.091 1.00 0.00 N ATOM 161 CA LEU A 13 3.571 0.652 12.121 1.00 0.00 C ATOM 162 C LEU A 13 5.072 0.584 11.831 1.00 0.00 C ATOM 163 O LEU A 13 5.721 -0.416 12.132 1.00 0.00 O ATOM 164 CB LEU A 13 2.712 0.855 10.872 1.00 0.00 C ATOM 165 CG LEU A 13 1.249 0.422 10.986 1.00 0.00 C ATOM 166 CD1 LEU A 13 0.463 0.808 9.732 1.00 0.00 C ATOM 167 CD2 LEU A 13 1.143 -1.074 11.292 1.00 0.00 C ATOM 0 HA LEU A 13 3.279 -0.317 12.525 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.738 1.912 10.605 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.169 0.307 10.048 1.00 0.00 H new ATOM 0 HG LEU A 13 0.799 0.955 11.824 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.574 0.489 9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.498 1.889 9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.904 0.322 8.862 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.093 -1.356 11.368 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.615 -1.643 10.491 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.646 -1.289 12.235 1.00 0.00 H new ATOM 179 N PHE A 14 5.579 1.661 11.248 1.00 0.00 N ATOM 180 CA PHE A 14 6.991 1.736 10.914 1.00 0.00 C ATOM 181 C PHE A 14 7.832 2.044 12.154 1.00 0.00 C ATOM 182 O PHE A 14 8.573 3.025 12.178 1.00 0.00 O ATOM 183 CB PHE A 14 7.152 2.876 9.907 1.00 0.00 C ATOM 184 CG PHE A 14 6.081 2.898 8.814 1.00 0.00 C ATOM 185 CD1 PHE A 14 5.931 1.828 7.988 1.00 0.00 C ATOM 186 CD2 PHE A 14 5.278 3.986 8.670 1.00 0.00 C ATOM 187 CE1 PHE A 14 4.936 1.848 6.974 1.00 0.00 C ATOM 188 CE2 PHE A 14 4.284 4.006 7.657 1.00 0.00 C ATOM 189 CZ PHE A 14 4.134 2.937 6.830 1.00 0.00 C ATOM 0 H PHE A 14 5.037 2.488 10.999 1.00 0.00 H new ATOM 0 HA PHE A 14 7.328 0.783 10.507 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.130 3.825 10.442 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.133 2.797 9.438 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.568 0.963 8.103 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.397 4.835 9.327 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.817 0.999 6.318 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.647 4.870 7.543 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.378 2.953 6.059 1.00 0.00 H new ATOM 199 N GLU A 15 7.690 1.186 13.154 1.00 0.00 N ATOM 200 CA GLU A 15 8.428 1.354 14.394 1.00 0.00 C ATOM 201 C GLU A 15 9.750 0.585 14.334 1.00 0.00 C ATOM 202 O GLU A 15 10.806 1.134 14.644 1.00 0.00 O ATOM 203 CB GLU A 15 7.590 0.912 15.595 1.00 0.00 C ATOM 204 CG GLU A 15 6.884 2.105 16.241 1.00 0.00 C ATOM 205 CD GLU A 15 7.445 2.386 17.636 1.00 0.00 C ATOM 206 OE1 GLU A 15 7.409 1.448 18.462 1.00 0.00 O ATOM 207 OE2 GLU A 15 7.898 3.532 17.846 1.00 0.00 O ATOM 0 H GLU A 15 7.075 0.373 13.130 1.00 0.00 H new ATOM 0 HA GLU A 15 8.652 2.413 14.520 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.851 0.177 15.276 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.230 0.423 16.329 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.005 2.987 15.612 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.815 1.906 16.309 1.00 0.00 H new ATOM 214 N ASN A 16 9.647 -0.673 13.934 1.00 0.00 N ATOM 215 CA ASN A 16 10.821 -1.523 13.829 1.00 0.00 C ATOM 216 C ASN A 16 11.512 -1.268 12.488 1.00 0.00 C ATOM 217 O ASN A 16 12.735 -1.358 12.389 1.00 0.00 O ATOM 218 CB ASN A 16 10.436 -3.003 13.888 1.00 0.00 C ATOM 219 CG ASN A 16 9.487 -3.369 12.745 1.00 0.00 C ATOM 220 OD1 ASN A 16 8.349 -2.934 12.686 1.00 0.00 O ATOM 221 ND2 ASN A 16 10.017 -4.191 11.844 1.00 0.00 N ATOM 0 H ASN A 16 8.769 -1.125 13.679 1.00 0.00 H new ATOM 0 HA ASN A 16 11.483 -1.288 14.663 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.334 -3.618 13.831 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.960 -3.221 14.844 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.464 -4.495 11.043 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.977 -4.518 11.954 1.00 0.00 H new ATOM 228 N MET A 17 10.700 -0.953 11.490 1.00 0.00 N ATOM 229 CA MET A 17 11.218 -0.684 10.160 1.00 0.00 C ATOM 230 C MET A 17 12.341 0.355 10.209 1.00 0.00 C ATOM 231 O MET A 17 12.310 1.269 11.030 1.00 0.00 O ATOM 232 CB MET A 17 10.088 -0.172 9.265 1.00 0.00 C ATOM 233 CG MET A 17 9.860 -1.111 8.078 1.00 0.00 C ATOM 234 SD MET A 17 8.382 -0.635 7.198 1.00 0.00 S ATOM 235 CE MET A 17 7.314 -2.001 7.622 1.00 0.00 C ATOM 0 H MET A 17 9.686 -0.878 11.576 1.00 0.00 H new ATOM 0 HA MET A 17 11.623 -1.611 9.754 1.00 0.00 H new ATOM 0 HB2 MET A 17 9.170 -0.085 9.846 1.00 0.00 H new ATOM 0 HB3 MET A 17 10.331 0.827 8.902 1.00 0.00 H new ATOM 0 HG2 MET A 17 10.719 -1.078 7.408 1.00 0.00 H new ATOM 0 HG3 MET A 17 9.769 -2.139 8.429 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.275 -1.712 7.467 1.00 0.00 H new ATOM 0 HE2 MET A 17 7.550 -2.857 6.990 1.00 0.00 H new ATOM 0 HE3 MET A 17 7.464 -2.269 8.668 1.00 0.00 H new ATOM 245 N ASP A 18 13.306 0.179 9.318 1.00 0.00 N ATOM 246 CA ASP A 18 14.436 1.089 9.249 1.00 0.00 C ATOM 247 C ASP A 18 14.278 2.000 8.030 1.00 0.00 C ATOM 248 O ASP A 18 13.566 1.661 7.085 1.00 0.00 O ATOM 249 CB ASP A 18 15.752 0.324 9.100 1.00 0.00 C ATOM 250 CG ASP A 18 16.979 1.026 9.686 1.00 0.00 C ATOM 251 OD1 ASP A 18 16.973 2.276 9.681 1.00 0.00 O ATOM 252 OD2 ASP A 18 17.893 0.297 10.126 1.00 0.00 O ATOM 0 H ASP A 18 13.328 -0.581 8.638 1.00 0.00 H new ATOM 0 HA ASP A 18 14.459 1.668 10.172 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.645 -0.649 9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 18 15.929 0.139 8.040 1.00 0.00 H new ATOM 257 N GLU A 19 14.954 3.138 8.089 1.00 0.00 N ATOM 258 CA GLU A 19 14.898 4.099 7.001 1.00 0.00 C ATOM 259 C GLU A 19 15.054 3.388 5.656 1.00 0.00 C ATOM 260 O GLU A 19 14.185 3.490 4.791 1.00 0.00 O ATOM 261 CB GLU A 19 15.962 5.186 7.175 1.00 0.00 C ATOM 262 CG GLU A 19 15.336 6.493 7.664 1.00 0.00 C ATOM 263 CD GLU A 19 15.454 7.589 6.603 1.00 0.00 C ATOM 264 OE1 GLU A 19 16.561 8.159 6.497 1.00 0.00 O ATOM 265 OE2 GLU A 19 14.434 7.831 5.922 1.00 0.00 O ATOM 0 H GLU A 19 15.543 3.416 8.874 1.00 0.00 H new ATOM 0 HA GLU A 19 13.923 4.585 7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.716 4.851 7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.472 5.355 6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.286 6.329 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.829 6.815 8.581 1.00 0.00 H new ATOM 272 N ARG A 20 16.169 2.684 5.521 1.00 0.00 N ATOM 273 CA ARG A 20 16.450 1.957 4.295 1.00 0.00 C ATOM 274 C ARG A 20 15.227 1.141 3.869 1.00 0.00 C ATOM 275 O ARG A 20 14.971 0.976 2.678 1.00 0.00 O ATOM 276 CB ARG A 20 17.644 1.017 4.474 1.00 0.00 C ATOM 277 CG ARG A 20 18.832 1.752 5.098 1.00 0.00 C ATOM 278 CD ARG A 20 18.984 1.391 6.577 1.00 0.00 C ATOM 279 NE ARG A 20 20.418 1.340 6.940 1.00 0.00 N ATOM 280 CZ ARG A 20 21.152 2.415 7.257 1.00 0.00 C ATOM 281 NH1 ARG A 20 20.591 3.633 7.257 1.00 0.00 N ATOM 282 NH2 ARG A 20 22.446 2.274 7.574 1.00 0.00 N ATOM 0 H ARG A 20 16.888 2.602 6.240 1.00 0.00 H new ATOM 0 HA ARG A 20 16.690 2.688 3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.358 0.177 5.107 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.934 0.604 3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.746 1.495 4.562 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.693 2.828 4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.470 2.128 7.194 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.516 0.427 6.775 1.00 0.00 H new ATOM 0 HE ARG A 20 20.876 0.429 6.949 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.606 3.741 7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.149 4.452 7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.873 1.348 7.574 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.004 3.093 7.815 1.00 0.00 H new ATOM 296 N LEU A 21 14.505 0.652 4.867 1.00 0.00 N ATOM 297 CA LEU A 21 13.316 -0.142 4.611 1.00 0.00 C ATOM 298 C LEU A 21 12.170 0.783 4.197 1.00 0.00 C ATOM 299 O LEU A 21 11.299 0.390 3.422 1.00 0.00 O ATOM 300 CB LEU A 21 12.990 -1.023 5.818 1.00 0.00 C ATOM 301 CG LEU A 21 12.316 -2.362 5.509 1.00 0.00 C ATOM 302 CD1 LEU A 21 13.218 -3.244 4.645 1.00 0.00 C ATOM 303 CD2 LEU A 21 11.886 -3.069 6.796 1.00 0.00 C ATOM 0 H LEU A 21 14.721 0.791 5.854 1.00 0.00 H new ATOM 0 HA LEU A 21 13.487 -0.829 3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.915 -1.221 6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.343 -0.459 6.490 1.00 0.00 H new ATOM 0 HG LEU A 21 11.412 -2.164 4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.715 -4.189 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.431 -2.736 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 21 14.152 -3.437 5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.410 -4.018 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.761 -3.254 7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.180 -2.440 7.339 1.00 0.00 H new ATOM 315 N LEU A 22 12.207 1.994 4.732 1.00 0.00 N ATOM 316 CA LEU A 22 11.182 2.978 4.428 1.00 0.00 C ATOM 317 C LEU A 22 11.260 3.349 2.945 1.00 0.00 C ATOM 318 O LEU A 22 10.281 3.210 2.214 1.00 0.00 O ATOM 319 CB LEU A 22 11.296 4.179 5.369 1.00 0.00 C ATOM 320 CG LEU A 22 10.458 4.112 6.647 1.00 0.00 C ATOM 321 CD1 LEU A 22 8.966 4.234 6.331 1.00 0.00 C ATOM 322 CD2 LEU A 22 10.773 2.845 7.444 1.00 0.00 C ATOM 0 H LEU A 22 12.931 2.316 5.374 1.00 0.00 H new ATOM 0 HA LEU A 22 10.190 2.560 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.342 4.297 5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.011 5.075 4.818 1.00 0.00 H new ATOM 0 HG LEU A 22 10.725 4.962 7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.393 4.183 7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.775 5.187 5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.666 3.419 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.164 2.823 8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.552 1.968 6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.828 2.840 7.718 1.00 0.00 H new ATOM 334 N ASP A 23 12.435 3.814 2.546 1.00 0.00 N ATOM 335 CA ASP A 23 12.654 4.205 1.164 1.00 0.00 C ATOM 336 C ASP A 23 12.316 3.029 0.245 1.00 0.00 C ATOM 337 O ASP A 23 11.565 3.185 -0.717 1.00 0.00 O ATOM 338 CB ASP A 23 14.116 4.586 0.925 1.00 0.00 C ATOM 339 CG ASP A 23 14.384 5.336 -0.382 1.00 0.00 C ATOM 340 OD1 ASP A 23 14.132 4.730 -1.446 1.00 0.00 O ATOM 341 OD2 ASP A 23 14.834 6.498 -0.287 1.00 0.00 O ATOM 0 H ASP A 23 13.245 3.929 3.155 1.00 0.00 H new ATOM 0 HA ASP A 23 12.018 5.064 0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.455 5.203 1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.719 3.678 0.935 1.00 0.00 H new ATOM 346 N ALA A 24 12.886 1.879 0.575 1.00 0.00 N ATOM 347 CA ALA A 24 12.654 0.678 -0.209 1.00 0.00 C ATOM 348 C ALA A 24 11.149 0.484 -0.404 1.00 0.00 C ATOM 349 O ALA A 24 10.682 0.318 -1.530 1.00 0.00 O ATOM 350 CB ALA A 24 13.311 -0.518 0.484 1.00 0.00 C ATOM 0 H ALA A 24 13.507 1.754 1.374 1.00 0.00 H new ATOM 0 HA ALA A 24 13.105 0.771 -1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.137 -1.419 -0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.383 -0.343 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.881 -0.644 1.478 1.00 0.00 H new ATOM 356 N ILE A 25 10.431 0.512 0.709 1.00 0.00 N ATOM 357 CA ILE A 25 8.989 0.342 0.675 1.00 0.00 C ATOM 358 C ILE A 25 8.359 1.515 -0.079 1.00 0.00 C ATOM 359 O ILE A 25 7.453 1.323 -0.888 1.00 0.00 O ATOM 360 CB ILE A 25 8.437 0.153 2.089 1.00 0.00 C ATOM 361 CG1 ILE A 25 8.632 -1.289 2.565 1.00 0.00 C ATOM 362 CG2 ILE A 25 6.974 0.591 2.171 1.00 0.00 C ATOM 363 CD1 ILE A 25 8.386 -1.407 4.070 1.00 0.00 C ATOM 0 H ILE A 25 10.822 0.650 1.641 1.00 0.00 H new ATOM 0 HA ILE A 25 8.726 -0.566 0.132 1.00 0.00 H new ATOM 0 HB ILE A 25 9.002 0.795 2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.950 -1.948 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.644 -1.619 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.607 0.446 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.894 1.645 1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.377 -0.005 1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.531 -2.441 4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.086 -0.765 4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.365 -1.099 4.297 1.00 0.00 H new ATOM 375 N CYS A 26 8.864 2.705 0.214 1.00 0.00 N ATOM 376 CA CYS A 26 8.363 3.909 -0.426 1.00 0.00 C ATOM 377 C CYS A 26 8.412 3.704 -1.941 1.00 0.00 C ATOM 378 O CYS A 26 7.417 3.918 -2.633 1.00 0.00 O ATOM 379 CB CYS A 26 9.147 5.149 0.009 1.00 0.00 C ATOM 380 SG CYS A 26 8.169 6.658 -0.330 1.00 0.00 S ATOM 0 H CYS A 26 9.615 2.861 0.886 1.00 0.00 H new ATOM 0 HA CYS A 26 7.332 4.086 -0.118 1.00 0.00 H new ATOM 0 HB2 CYS A 26 9.380 5.088 1.072 1.00 0.00 H new ATOM 0 HB3 CYS A 26 10.097 5.194 -0.523 1.00 0.00 H new ATOM 0 HG CYS A 26 8.842 7.705 0.045 1.00 0.00 H new ATOM 386 N GLU A 27 9.580 3.293 -2.413 1.00 0.00 N ATOM 387 CA GLU A 27 9.772 3.057 -3.834 1.00 0.00 C ATOM 388 C GLU A 27 8.699 2.103 -4.363 1.00 0.00 C ATOM 389 O GLU A 27 8.373 2.127 -5.549 1.00 0.00 O ATOM 390 CB GLU A 27 11.175 2.515 -4.115 1.00 0.00 C ATOM 391 CG GLU A 27 12.195 3.652 -4.200 1.00 0.00 C ATOM 392 CD GLU A 27 13.048 3.529 -5.465 1.00 0.00 C ATOM 393 OE1 GLU A 27 12.439 3.436 -6.553 1.00 0.00 O ATOM 394 OE2 GLU A 27 14.289 3.531 -5.315 1.00 0.00 O ATOM 0 H GLU A 27 10.403 3.117 -1.837 1.00 0.00 H new ATOM 0 HA GLU A 27 9.674 4.008 -4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.465 1.820 -3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.172 1.954 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.677 4.611 -4.198 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.838 3.635 -3.320 1.00 0.00 H new ATOM 401 N ARG A 28 8.180 1.287 -3.458 1.00 0.00 N ATOM 402 CA ARG A 28 7.151 0.327 -3.819 1.00 0.00 C ATOM 403 C ARG A 28 5.822 1.043 -4.070 1.00 0.00 C ATOM 404 O ARG A 28 5.090 0.694 -4.996 1.00 0.00 O ATOM 405 CB ARG A 28 6.960 -0.717 -2.717 1.00 0.00 C ATOM 406 CG ARG A 28 7.029 -2.135 -3.287 1.00 0.00 C ATOM 407 CD ARG A 28 5.953 -2.351 -4.353 1.00 0.00 C ATOM 408 NE ARG A 28 6.579 -2.775 -5.625 1.00 0.00 N ATOM 409 CZ ARG A 28 5.954 -2.764 -6.810 1.00 0.00 C ATOM 410 NH1 ARG A 28 4.682 -2.349 -6.894 1.00 0.00 N ATOM 411 NH2 ARG A 28 6.601 -3.167 -7.913 1.00 0.00 N ATOM 0 H ARG A 28 8.453 1.271 -2.475 1.00 0.00 H new ATOM 0 HA ARG A 28 7.473 -0.178 -4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.728 -0.590 -1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.997 -0.564 -2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.014 -2.309 -3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.901 -2.860 -2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.244 -3.107 -4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.389 -1.430 -4.505 1.00 0.00 H new ATOM 0 HE ARG A 28 7.547 -3.096 -5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.189 -2.041 -6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.207 -2.341 -7.796 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.569 -3.482 -7.850 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.125 -3.159 -8.815 1.00 0.00 H new ATOM 425 N LEU A 29 5.550 2.030 -3.230 1.00 0.00 N ATOM 426 CA LEU A 29 4.322 2.798 -3.349 1.00 0.00 C ATOM 427 C LEU A 29 4.073 3.128 -4.822 1.00 0.00 C ATOM 428 O LEU A 29 4.846 3.861 -5.436 1.00 0.00 O ATOM 429 CB LEU A 29 4.370 4.029 -2.442 1.00 0.00 C ATOM 430 CG LEU A 29 4.637 3.760 -0.959 1.00 0.00 C ATOM 431 CD1 LEU A 29 5.158 5.017 -0.259 1.00 0.00 C ATOM 432 CD2 LEU A 29 3.393 3.195 -0.272 1.00 0.00 C ATOM 0 H LEU A 29 6.159 2.316 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 29 3.470 2.211 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.144 4.700 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.421 4.558 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 29 5.418 3.003 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.340 4.799 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.088 5.336 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.418 5.813 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.610 3.013 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.575 3.910 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.107 2.259 -0.751 1.00 0.00 H new ATOM 444 N LYS A 30 2.991 2.571 -5.345 1.00 0.00 N ATOM 445 CA LYS A 30 2.630 2.798 -6.734 1.00 0.00 C ATOM 446 C LYS A 30 1.540 3.869 -6.806 1.00 0.00 C ATOM 447 O LYS A 30 0.790 4.060 -5.850 1.00 0.00 O ATOM 448 CB LYS A 30 2.243 1.480 -7.409 1.00 0.00 C ATOM 449 CG LYS A 30 3.380 0.962 -8.292 1.00 0.00 C ATOM 450 CD LYS A 30 2.910 0.769 -9.735 1.00 0.00 C ATOM 451 CE LYS A 30 3.512 -0.500 -10.343 1.00 0.00 C ATOM 452 NZ LYS A 30 2.955 -0.742 -11.693 1.00 0.00 N ATOM 0 H LYS A 30 2.352 1.963 -4.832 1.00 0.00 H new ATOM 0 HA LYS A 30 3.486 3.177 -7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.999 0.736 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.347 1.625 -8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.213 1.665 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.750 0.016 -7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.822 0.709 -9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.196 1.634 -10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.596 -0.403 -10.402 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.303 -1.354 -9.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.374 -1.607 -12.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.923 -0.855 -11.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.176 0.066 -12.310 1.00 0.00 H new ATOM 466 N PRO A 31 1.485 4.556 -7.978 1.00 0.00 N ATOM 467 CA PRO A 31 0.499 5.603 -8.187 1.00 0.00 C ATOM 468 C PRO A 31 -0.889 5.007 -8.431 1.00 0.00 C ATOM 469 O PRO A 31 -1.139 4.418 -9.481 1.00 0.00 O ATOM 470 CB PRO A 31 1.019 6.403 -9.369 1.00 0.00 C ATOM 471 CG PRO A 31 2.027 5.506 -10.069 1.00 0.00 C ATOM 472 CD PRO A 31 2.358 4.356 -9.131 1.00 0.00 C ATOM 0 HA PRO A 31 0.374 6.244 -7.314 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.207 6.678 -10.042 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.486 7.331 -9.038 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.616 5.129 -11.006 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.928 6.066 -10.319 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.173 3.392 -9.605 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.408 4.372 -8.840 1.00 0.00 H new ATOM 480 N CYS A 32 -1.755 5.182 -7.444 1.00 0.00 N ATOM 481 CA CYS A 32 -3.111 4.670 -7.539 1.00 0.00 C ATOM 482 C CYS A 32 -4.023 5.565 -6.698 1.00 0.00 C ATOM 483 O CYS A 32 -3.547 6.328 -5.859 1.00 0.00 O ATOM 484 CB CYS A 32 -3.194 3.204 -7.107 1.00 0.00 C ATOM 485 SG CYS A 32 -2.098 2.912 -5.671 1.00 0.00 S ATOM 0 H CYS A 32 -1.544 5.671 -6.574 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.439 4.693 -8.578 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.222 2.950 -6.848 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.904 2.556 -7.934 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.910 3.372 -5.931 1.00 0.00 H new ATOM 491 N LEU A 33 -5.318 5.441 -6.951 1.00 0.00 N ATOM 492 CA LEU A 33 -6.301 6.229 -6.227 1.00 0.00 C ATOM 493 C LEU A 33 -7.543 5.375 -5.968 1.00 0.00 C ATOM 494 O LEU A 33 -7.714 4.320 -6.578 1.00 0.00 O ATOM 495 CB LEU A 33 -6.595 7.533 -6.971 1.00 0.00 C ATOM 496 CG LEU A 33 -7.023 8.719 -6.103 1.00 0.00 C ATOM 497 CD1 LEU A 33 -5.866 9.700 -5.907 1.00 0.00 C ATOM 498 CD2 LEU A 33 -8.263 9.403 -6.683 1.00 0.00 C ATOM 0 H LEU A 33 -5.709 4.807 -7.647 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.910 6.525 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.703 7.819 -7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.380 7.342 -7.703 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.295 8.341 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.197 10.533 -5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.036 9.190 -5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.540 10.076 -6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.546 10.242 -6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.042 9.766 -7.687 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.085 8.689 -6.728 1.00 0.00 H new ATOM 510 N PHE A 34 -8.379 5.862 -5.063 1.00 0.00 N ATOM 511 CA PHE A 34 -9.601 5.156 -4.717 1.00 0.00 C ATOM 512 C PHE A 34 -10.833 6.013 -5.015 1.00 0.00 C ATOM 513 O PHE A 34 -11.070 7.019 -4.349 1.00 0.00 O ATOM 514 CB PHE A 34 -9.543 4.873 -3.214 1.00 0.00 C ATOM 515 CG PHE A 34 -8.248 4.199 -2.757 1.00 0.00 C ATOM 516 CD1 PHE A 34 -7.903 2.981 -3.255 1.00 0.00 C ATOM 517 CD2 PHE A 34 -7.442 4.817 -1.853 1.00 0.00 C ATOM 518 CE1 PHE A 34 -6.701 2.355 -2.831 1.00 0.00 C ATOM 519 CE2 PHE A 34 -6.240 4.191 -1.429 1.00 0.00 C ATOM 520 CZ PHE A 34 -5.895 2.973 -1.926 1.00 0.00 C ATOM 0 H PHE A 34 -8.234 6.737 -4.559 1.00 0.00 H new ATOM 0 HA PHE A 34 -9.679 4.239 -5.302 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.662 5.812 -2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.386 4.239 -2.941 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.543 2.490 -3.973 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.716 5.784 -1.457 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.427 1.388 -3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.600 4.682 -0.712 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.981 2.497 -1.602 1.00 0.00 H new ATOM 530 N THR A 35 -11.585 5.582 -6.017 1.00 0.00 N ATOM 531 CA THR A 35 -12.786 6.297 -6.413 1.00 0.00 C ATOM 532 C THR A 35 -13.986 5.817 -5.593 1.00 0.00 C ATOM 533 O THR A 35 -13.822 5.109 -4.601 1.00 0.00 O ATOM 534 CB THR A 35 -12.970 6.116 -7.921 1.00 0.00 C ATOM 535 OG1 THR A 35 -12.509 4.791 -8.170 1.00 0.00 O ATOM 536 CG2 THR A 35 -12.022 6.999 -8.736 1.00 0.00 C ATOM 0 H THR A 35 -11.386 4.746 -6.567 1.00 0.00 H new ATOM 0 HA THR A 35 -12.696 7.364 -6.208 1.00 0.00 H new ATOM 0 HB THR A 35 -14.001 6.344 -8.191 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.799 4.202 -7.443 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.193 6.832 -9.799 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.206 8.047 -8.499 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.990 6.748 -8.491 1.00 0.00 H new ATOM 544 N GLU A 36 -15.166 6.223 -6.039 1.00 0.00 N ATOM 545 CA GLU A 36 -16.393 5.843 -5.359 1.00 0.00 C ATOM 546 C GLU A 36 -16.661 4.348 -5.541 1.00 0.00 C ATOM 547 O GLU A 36 -16.413 3.796 -6.612 1.00 0.00 O ATOM 548 CB GLU A 36 -17.576 6.676 -5.857 1.00 0.00 C ATOM 549 CG GLU A 36 -18.083 6.158 -7.204 1.00 0.00 C ATOM 550 CD GLU A 36 -17.099 6.493 -8.326 1.00 0.00 C ATOM 551 OE1 GLU A 36 -16.667 7.665 -8.371 1.00 0.00 O ATOM 552 OE2 GLU A 36 -16.800 5.570 -9.114 1.00 0.00 O ATOM 0 H GLU A 36 -15.298 6.811 -6.862 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.272 6.043 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.382 6.644 -5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.275 7.719 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -18.227 5.079 -7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -19.055 6.599 -7.425 1.00 0.00 H new ATOM 559 N LYS A 37 -17.163 3.735 -4.479 1.00 0.00 N ATOM 560 CA LYS A 37 -17.466 2.315 -4.509 1.00 0.00 C ATOM 561 C LYS A 37 -16.160 1.518 -4.513 1.00 0.00 C ATOM 562 O LYS A 37 -16.160 0.321 -4.796 1.00 0.00 O ATOM 563 CB LYS A 37 -18.390 1.988 -5.685 1.00 0.00 C ATOM 564 CG LYS A 37 -19.638 2.872 -5.663 1.00 0.00 C ATOM 565 CD LYS A 37 -20.781 2.226 -6.449 1.00 0.00 C ATOM 566 CE LYS A 37 -20.547 2.347 -7.956 1.00 0.00 C ATOM 567 NZ LYS A 37 -19.744 1.206 -8.449 1.00 0.00 N ATOM 0 H LYS A 37 -17.367 4.196 -3.592 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.014 2.024 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.855 2.131 -6.624 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.682 0.939 -5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.950 3.041 -4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.405 3.848 -6.089 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.868 1.175 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -21.724 2.703 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.504 2.378 -8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.033 3.283 -8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.855 1.558 -8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.531 0.564 -7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.281 0.693 -9.177 1.00 0.00 H new ATOM 581 N SER A 38 -15.079 2.215 -4.197 1.00 0.00 N ATOM 582 CA SER A 38 -13.768 1.588 -4.161 1.00 0.00 C ATOM 583 C SER A 38 -13.483 1.051 -2.756 1.00 0.00 C ATOM 584 O SER A 38 -13.346 1.824 -1.809 1.00 0.00 O ATOM 585 CB SER A 38 -12.675 2.571 -4.585 1.00 0.00 C ATOM 586 OG SER A 38 -12.923 3.119 -5.877 1.00 0.00 O ATOM 0 H SER A 38 -15.084 3.208 -3.963 1.00 0.00 H new ATOM 0 HA SER A 38 -13.767 0.758 -4.868 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.610 3.378 -3.855 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.711 2.063 -4.585 1.00 0.00 H new ATOM 0 HG SER A 38 -12.268 2.765 -6.514 1.00 0.00 H new ATOM 592 N TYR A 39 -13.403 -0.268 -2.667 1.00 0.00 N ATOM 593 CA TYR A 39 -13.137 -0.917 -1.394 1.00 0.00 C ATOM 594 C TYR A 39 -11.643 -1.199 -1.224 1.00 0.00 C ATOM 595 O TYR A 39 -11.029 -1.844 -2.073 1.00 0.00 O ATOM 596 CB TYR A 39 -13.894 -2.246 -1.432 1.00 0.00 C ATOM 597 CG TYR A 39 -15.355 -2.143 -0.989 1.00 0.00 C ATOM 598 CD1 TYR A 39 -15.685 -2.296 0.343 1.00 0.00 C ATOM 599 CD2 TYR A 39 -16.343 -1.897 -1.920 1.00 0.00 C ATOM 600 CE1 TYR A 39 -17.060 -2.200 0.760 1.00 0.00 C ATOM 601 CE2 TYR A 39 -17.718 -1.800 -1.503 1.00 0.00 C ATOM 602 CZ TYR A 39 -18.008 -1.956 -0.184 1.00 0.00 C ATOM 603 OH TYR A 39 -19.307 -1.864 0.210 1.00 0.00 O ATOM 0 H TYR A 39 -13.518 -0.905 -3.455 1.00 0.00 H new ATOM 0 HA TYR A 39 -13.450 -0.281 -0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -13.860 -2.643 -2.447 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -13.381 -2.963 -0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -14.912 -2.488 1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -16.085 -1.777 -2.962 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -17.332 -2.319 1.798 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -18.501 -1.608 -2.222 1.00 0.00 H new ATOM 0 HH TYR A 39 -19.874 -1.686 -0.570 1.00 0.00 H new ATOM 613 N LEU A 40 -11.101 -0.702 -0.122 1.00 0.00 N ATOM 614 CA LEU A 40 -9.691 -0.893 0.170 1.00 0.00 C ATOM 615 C LEU A 40 -9.480 -2.292 0.752 1.00 0.00 C ATOM 616 O LEU A 40 -8.680 -3.070 0.234 1.00 0.00 O ATOM 617 CB LEU A 40 -9.173 0.232 1.069 1.00 0.00 C ATOM 618 CG LEU A 40 -8.914 1.574 0.382 1.00 0.00 C ATOM 619 CD1 LEU A 40 -10.200 2.131 -0.234 1.00 0.00 C ATOM 620 CD2 LEU A 40 -8.263 2.567 1.346 1.00 0.00 C ATOM 0 H LEU A 40 -11.613 -0.167 0.579 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.101 -0.836 -0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.894 0.390 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.245 -0.100 1.535 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.210 1.410 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.989 3.085 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.583 1.428 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.945 2.277 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.090 3.513 0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.922 2.732 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.312 2.165 1.696 1.00 0.00 H new ATOM 632 N VAL A 41 -10.211 -2.570 1.822 1.00 0.00 N ATOM 633 CA VAL A 41 -10.114 -3.862 2.480 1.00 0.00 C ATOM 634 C VAL A 41 -11.520 -4.385 2.777 1.00 0.00 C ATOM 635 O VAL A 41 -12.448 -3.603 2.980 1.00 0.00 O ATOM 636 CB VAL A 41 -9.242 -3.746 3.733 1.00 0.00 C ATOM 637 CG1 VAL A 41 -7.867 -3.169 3.392 1.00 0.00 C ATOM 638 CG2 VAL A 41 -9.937 -2.910 4.809 1.00 0.00 C ATOM 0 H VAL A 41 -10.873 -1.922 2.250 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.629 -4.588 1.828 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.094 -4.749 4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.267 -3.097 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.366 -3.821 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.987 -2.177 2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.296 -2.843 5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.130 -1.909 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.881 -3.381 5.083 1.00 0.00 H new ATOM 648 N ARG A 42 -11.635 -5.705 2.791 1.00 0.00 N ATOM 649 CA ARG A 42 -12.913 -6.342 3.059 1.00 0.00 C ATOM 650 C ARG A 42 -12.758 -7.404 4.151 1.00 0.00 C ATOM 651 O ARG A 42 -11.643 -7.807 4.475 1.00 0.00 O ATOM 652 CB ARG A 42 -13.477 -6.997 1.797 1.00 0.00 C ATOM 653 CG ARG A 42 -14.376 -6.025 1.030 1.00 0.00 C ATOM 654 CD ARG A 42 -15.852 -6.388 1.206 1.00 0.00 C ATOM 655 NE ARG A 42 -16.093 -7.770 0.735 1.00 0.00 N ATOM 656 CZ ARG A 42 -17.309 -8.287 0.514 1.00 0.00 C ATOM 657 NH1 ARG A 42 -18.402 -7.540 0.720 1.00 0.00 N ATOM 658 NH2 ARG A 42 -17.433 -9.551 0.086 1.00 0.00 N ATOM 0 H ARG A 42 -10.864 -6.351 2.621 1.00 0.00 H new ATOM 0 HA ARG A 42 -13.605 -5.569 3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.658 -7.324 1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.045 -7.887 2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.203 -5.008 1.383 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.117 -6.043 -0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.135 -6.298 2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.476 -5.691 0.647 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.282 -8.366 0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -18.308 -6.578 1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -19.328 -7.934 0.552 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.601 -10.120 -0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -18.359 -9.944 -0.082 1.00 0.00 H new ATOM 672 N GLU A 43 -13.894 -7.825 4.687 1.00 0.00 N ATOM 673 CA GLU A 43 -13.899 -8.832 5.735 1.00 0.00 C ATOM 674 C GLU A 43 -14.209 -10.210 5.146 1.00 0.00 C ATOM 675 O GLU A 43 -15.239 -10.395 4.499 1.00 0.00 O ATOM 676 CB GLU A 43 -14.895 -8.470 6.838 1.00 0.00 C ATOM 677 CG GLU A 43 -14.187 -8.304 8.184 1.00 0.00 C ATOM 678 CD GLU A 43 -14.265 -9.592 9.007 1.00 0.00 C ATOM 679 OE1 GLU A 43 -13.591 -10.564 8.604 1.00 0.00 O ATOM 680 OE2 GLU A 43 -14.996 -9.574 10.020 1.00 0.00 O ATOM 0 H GLU A 43 -14.817 -7.487 4.415 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.906 -8.866 6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -15.411 -7.546 6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.655 -9.248 6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.143 -8.036 8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.643 -7.485 8.740 1.00 0.00 H new ATOM 687 N GLY A 44 -13.299 -11.141 5.391 1.00 0.00 N ATOM 688 CA GLY A 44 -13.463 -12.496 4.893 1.00 0.00 C ATOM 689 C GLY A 44 -12.477 -12.787 3.760 1.00 0.00 C ATOM 690 O GLY A 44 -11.966 -13.900 3.647 1.00 0.00 O ATOM 0 H GLY A 44 -12.446 -10.984 5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.309 -13.207 5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.484 -12.635 4.536 1.00 0.00 H new ATOM 694 N ASP A 45 -12.238 -11.766 2.950 1.00 0.00 N ATOM 695 CA ASP A 45 -11.322 -11.898 1.830 1.00 0.00 C ATOM 696 C ASP A 45 -9.900 -11.582 2.299 1.00 0.00 C ATOM 697 O ASP A 45 -9.710 -10.822 3.247 1.00 0.00 O ATOM 698 CB ASP A 45 -11.678 -10.919 0.709 1.00 0.00 C ATOM 699 CG ASP A 45 -11.531 -9.440 1.072 1.00 0.00 C ATOM 700 OD1 ASP A 45 -11.775 -9.118 2.255 1.00 0.00 O ATOM 701 OD2 ASP A 45 -11.177 -8.664 0.157 1.00 0.00 O ATOM 0 H ASP A 45 -12.663 -10.844 3.047 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.394 -12.919 1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.045 -11.131 -0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.707 -11.102 0.401 1.00 0.00 H new ATOM 706 N PRO A 46 -8.913 -12.198 1.595 1.00 0.00 N ATOM 707 CA PRO A 46 -7.514 -11.990 1.930 1.00 0.00 C ATOM 708 C PRO A 46 -7.037 -10.614 1.462 1.00 0.00 C ATOM 709 O PRO A 46 -7.749 -9.918 0.741 1.00 0.00 O ATOM 710 CB PRO A 46 -6.775 -13.135 1.257 1.00 0.00 C ATOM 711 CG PRO A 46 -7.718 -13.673 0.193 1.00 0.00 C ATOM 712 CD PRO A 46 -9.101 -13.104 0.466 1.00 0.00 C ATOM 0 HA PRO A 46 -7.333 -11.993 3.005 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.842 -12.790 0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.517 -13.911 1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.376 -13.385 -0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.741 -14.762 0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.491 -12.576 -0.404 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.814 -13.893 0.706 1.00 0.00 H new ATOM 720 N VAL A 47 -5.834 -10.262 1.893 1.00 0.00 N ATOM 721 CA VAL A 47 -5.253 -8.982 1.527 1.00 0.00 C ATOM 722 C VAL A 47 -4.078 -9.212 0.575 1.00 0.00 C ATOM 723 O VAL A 47 -3.095 -9.855 0.940 1.00 0.00 O ATOM 724 CB VAL A 47 -4.858 -8.208 2.787 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.360 -6.805 2.435 1.00 0.00 C ATOM 726 CG2 VAL A 47 -6.022 -8.143 3.778 1.00 0.00 C ATOM 0 H VAL A 47 -5.246 -10.841 2.492 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.983 -8.369 0.999 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.039 -8.744 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.086 -6.276 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.489 -6.881 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.150 -6.257 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.715 -7.588 4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.870 -7.641 3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.312 -9.154 4.065 1.00 0.00 H new ATOM 736 N ASN A 48 -4.219 -8.676 -0.628 1.00 0.00 N ATOM 737 CA ASN A 48 -3.182 -8.815 -1.636 1.00 0.00 C ATOM 738 C ASN A 48 -2.187 -7.661 -1.500 1.00 0.00 C ATOM 739 O ASN A 48 -0.978 -7.863 -1.609 1.00 0.00 O ATOM 740 CB ASN A 48 -3.774 -8.765 -3.046 1.00 0.00 C ATOM 741 CG ASN A 48 -2.923 -9.576 -4.026 1.00 0.00 C ATOM 742 OD1 ASN A 48 -2.392 -10.626 -3.706 1.00 0.00 O ATOM 743 ND2 ASN A 48 -2.825 -9.031 -5.236 1.00 0.00 N ATOM 0 H ASN A 48 -5.036 -8.144 -0.928 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.691 -9.777 -1.485 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.791 -9.156 -3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.836 -7.730 -3.382 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.280 -9.496 -5.962 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.295 -8.149 -5.438 1.00 0.00 H new ATOM 750 N GLU A 49 -2.731 -6.476 -1.264 1.00 0.00 N ATOM 751 CA GLU A 49 -1.906 -5.290 -1.113 1.00 0.00 C ATOM 752 C GLU A 49 -2.462 -4.395 -0.003 1.00 0.00 C ATOM 753 O GLU A 49 -3.657 -4.429 0.286 1.00 0.00 O ATOM 754 CB GLU A 49 -1.799 -4.524 -2.433 1.00 0.00 C ATOM 755 CG GLU A 49 -3.160 -3.971 -2.858 1.00 0.00 C ATOM 756 CD GLU A 49 -4.120 -5.103 -3.230 1.00 0.00 C ATOM 757 OE1 GLU A 49 -3.878 -5.728 -4.284 1.00 0.00 O ATOM 758 OE2 GLU A 49 -5.074 -5.317 -2.451 1.00 0.00 O ATOM 0 H GLU A 49 -3.734 -6.312 -1.174 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.901 -5.604 -0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.087 -3.705 -2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.412 -5.183 -3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.586 -3.380 -2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.035 -3.301 -3.709 1.00 0.00 H new ATOM 765 N MET A 50 -1.568 -3.616 0.588 1.00 0.00 N ATOM 766 CA MET A 50 -1.955 -2.713 1.660 1.00 0.00 C ATOM 767 C MET A 50 -1.978 -1.263 1.173 1.00 0.00 C ATOM 768 O MET A 50 -1.111 -0.848 0.406 1.00 0.00 O ATOM 769 CB MET A 50 -0.968 -2.847 2.821 1.00 0.00 C ATOM 770 CG MET A 50 -1.317 -1.878 3.952 1.00 0.00 C ATOM 771 SD MET A 50 -0.531 -2.399 5.467 1.00 0.00 S ATOM 772 CE MET A 50 -0.417 -0.831 6.313 1.00 0.00 C ATOM 0 H MET A 50 -0.578 -3.591 0.346 1.00 0.00 H new ATOM 0 HA MET A 50 -2.958 -2.981 1.992 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.980 -3.870 3.197 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.044 -2.649 2.467 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.992 -0.871 3.692 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.398 -1.839 4.088 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.502 -0.799 6.898 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.410 -0.023 5.582 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.273 -0.713 6.977 1.00 0.00 H new ATOM 782 N LEU A 51 -2.979 -0.532 1.640 1.00 0.00 N ATOM 783 CA LEU A 51 -3.126 0.864 1.263 1.00 0.00 C ATOM 784 C LEU A 51 -2.838 1.749 2.477 1.00 0.00 C ATOM 785 O LEU A 51 -3.380 1.522 3.558 1.00 0.00 O ATOM 786 CB LEU A 51 -4.501 1.107 0.636 1.00 0.00 C ATOM 787 CG LEU A 51 -4.860 0.220 -0.557 1.00 0.00 C ATOM 788 CD1 LEU A 51 -3.657 0.030 -1.482 1.00 0.00 C ATOM 789 CD2 LEU A 51 -5.442 -1.117 -0.091 1.00 0.00 C ATOM 0 H LEU A 51 -3.696 -0.880 2.276 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.399 1.130 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.259 0.969 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.555 2.148 0.318 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.634 0.724 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.940 -0.605 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.328 1.000 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.844 -0.441 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.689 -1.729 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.709 -1.639 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.344 -0.937 0.494 1.00 0.00 H new ATOM 801 N PHE A 52 -1.986 2.740 2.258 1.00 0.00 N ATOM 802 CA PHE A 52 -1.620 3.661 3.320 1.00 0.00 C ATOM 803 C PHE A 52 -2.273 5.028 3.111 1.00 0.00 C ATOM 804 O PHE A 52 -1.805 5.826 2.300 1.00 0.00 O ATOM 805 CB PHE A 52 -0.099 3.822 3.268 1.00 0.00 C ATOM 806 CG PHE A 52 0.673 2.525 3.516 1.00 0.00 C ATOM 807 CD1 PHE A 52 0.597 1.506 2.618 1.00 0.00 C ATOM 808 CD2 PHE A 52 1.436 2.391 4.634 1.00 0.00 C ATOM 809 CE1 PHE A 52 1.314 0.302 2.848 1.00 0.00 C ATOM 810 CE2 PHE A 52 2.153 1.187 4.864 1.00 0.00 C ATOM 811 CZ PHE A 52 2.076 0.168 3.966 1.00 0.00 C ATOM 0 H PHE A 52 -1.539 2.925 1.360 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.956 3.272 4.281 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.181 4.218 2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.203 4.560 4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.009 1.613 1.730 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.497 3.200 5.347 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.254 -0.507 2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.759 1.080 5.751 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.621 -0.748 4.141 1.00 0.00 H new ATOM 821 N ILE A 53 -3.345 5.256 3.855 1.00 0.00 N ATOM 822 CA ILE A 53 -4.068 6.514 3.761 1.00 0.00 C ATOM 823 C ILE A 53 -3.091 7.674 3.961 1.00 0.00 C ATOM 824 O ILE A 53 -2.435 7.766 4.997 1.00 0.00 O ATOM 825 CB ILE A 53 -5.248 6.528 4.736 1.00 0.00 C ATOM 826 CG1 ILE A 53 -6.326 5.532 4.304 1.00 0.00 C ATOM 827 CG2 ILE A 53 -5.806 7.942 4.900 1.00 0.00 C ATOM 828 CD1 ILE A 53 -7.113 6.062 3.103 1.00 0.00 C ATOM 0 H ILE A 53 -3.731 4.591 4.526 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.503 6.631 2.769 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.888 6.209 5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.864 4.579 4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.006 5.344 5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.643 7.924 5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.026 8.598 5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.147 8.313 3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.873 5.335 2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.594 7.003 3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.434 6.226 2.266 1.00 0.00 H new ATOM 840 N ILE A 54 -3.027 8.532 2.953 1.00 0.00 N ATOM 841 CA ILE A 54 -2.142 9.683 3.005 1.00 0.00 C ATOM 842 C ILE A 54 -2.939 10.915 3.438 1.00 0.00 C ATOM 843 O ILE A 54 -2.480 11.694 4.272 1.00 0.00 O ATOM 844 CB ILE A 54 -1.413 9.859 1.671 1.00 0.00 C ATOM 845 CG1 ILE A 54 -0.776 8.545 1.216 1.00 0.00 C ATOM 846 CG2 ILE A 54 -0.391 10.995 1.751 1.00 0.00 C ATOM 847 CD1 ILE A 54 0.452 8.208 2.064 1.00 0.00 C ATOM 0 H ILE A 54 -3.574 8.453 2.096 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.362 9.530 3.750 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.147 10.139 0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.506 7.739 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.489 8.620 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.113 11.099 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.901 11.927 1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.344 10.769 2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.886 7.269 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.190 9.005 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.157 8.110 3.109 1.00 0.00 H new ATOM 859 N ARG A 55 -4.119 11.052 2.852 1.00 0.00 N ATOM 860 CA ARG A 55 -4.985 12.176 3.167 1.00 0.00 C ATOM 861 C ARG A 55 -6.341 12.011 2.477 1.00 0.00 C ATOM 862 O ARG A 55 -6.456 12.217 1.270 1.00 0.00 O ATOM 863 CB ARG A 55 -4.353 13.498 2.726 1.00 0.00 C ATOM 864 CG ARG A 55 -3.953 14.345 3.936 1.00 0.00 C ATOM 865 CD ARG A 55 -4.153 15.835 3.653 1.00 0.00 C ATOM 866 NE ARG A 55 -5.582 16.190 3.798 1.00 0.00 N ATOM 867 CZ ARG A 55 -6.439 16.291 2.772 1.00 0.00 C ATOM 868 NH1 ARG A 55 -6.016 16.064 1.521 1.00 0.00 N ATOM 869 NH2 ARG A 55 -7.718 16.619 2.998 1.00 0.00 N ATOM 0 H ARG A 55 -4.496 10.404 2.161 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.124 12.195 4.248 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.475 13.298 2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.057 14.053 2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.548 14.053 4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.909 14.156 4.188 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.551 16.428 4.341 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.811 16.071 2.645 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.937 16.369 4.737 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.042 15.814 1.349 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.668 16.141 0.740 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.040 16.792 3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.370 16.696 2.218 1.00 0.00 H new ATOM 883 N GLY A 56 -7.333 11.642 3.274 1.00 0.00 N ATOM 884 CA GLY A 56 -8.676 11.448 2.755 1.00 0.00 C ATOM 885 C GLY A 56 -9.630 10.988 3.860 1.00 0.00 C ATOM 886 O GLY A 56 -9.357 11.187 5.043 1.00 0.00 O ATOM 0 H GLY A 56 -7.234 11.472 4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.040 12.379 2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.657 10.708 1.955 1.00 0.00 H new ATOM 890 N ARG A 57 -10.729 10.383 3.435 1.00 0.00 N ATOM 891 CA ARG A 57 -11.724 9.893 4.373 1.00 0.00 C ATOM 892 C ARG A 57 -12.310 8.568 3.882 1.00 0.00 C ATOM 893 O ARG A 57 -12.269 8.271 2.689 1.00 0.00 O ATOM 894 CB ARG A 57 -12.855 10.907 4.555 1.00 0.00 C ATOM 895 CG ARG A 57 -12.451 12.010 5.535 1.00 0.00 C ATOM 896 CD ARG A 57 -13.362 12.014 6.764 1.00 0.00 C ATOM 897 NE ARG A 57 -14.047 13.321 6.881 1.00 0.00 N ATOM 898 CZ ARG A 57 -13.471 14.430 7.365 1.00 0.00 C ATOM 899 NH1 ARG A 57 -12.197 14.398 7.778 1.00 0.00 N ATOM 900 NH2 ARG A 57 -14.170 15.572 7.434 1.00 0.00 N ATOM 0 H ARG A 57 -10.952 10.221 2.453 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.229 9.741 5.332 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.111 11.348 3.592 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.748 10.400 4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.416 11.864 5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.501 12.979 5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.098 11.214 6.684 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.776 11.819 7.662 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.018 13.381 6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.665 13.529 7.724 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.759 15.242 8.146 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.140 15.596 7.118 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.732 16.416 7.802 1.00 0.00 H new ATOM 914 N LEU A 58 -12.842 7.807 4.827 1.00 0.00 N ATOM 915 CA LEU A 58 -13.436 6.520 4.506 1.00 0.00 C ATOM 916 C LEU A 58 -14.380 6.102 5.635 1.00 0.00 C ATOM 917 O LEU A 58 -14.424 6.746 6.682 1.00 0.00 O ATOM 918 CB LEU A 58 -12.348 5.489 4.201 1.00 0.00 C ATOM 919 CG LEU A 58 -11.713 5.575 2.811 1.00 0.00 C ATOM 920 CD1 LEU A 58 -10.372 6.308 2.865 1.00 0.00 C ATOM 921 CD2 LEU A 58 -11.582 4.186 2.181 1.00 0.00 C ATOM 0 H LEU A 58 -12.874 8.057 5.815 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.036 6.594 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.559 5.591 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.774 4.493 4.323 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.373 6.159 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.942 6.355 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.525 7.319 3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.691 5.773 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.128 4.275 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.955 3.557 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.570 3.735 2.086 1.00 0.00 H new ATOM 933 N GLU A 59 -15.111 5.027 5.384 1.00 0.00 N ATOM 934 CA GLU A 59 -16.052 4.515 6.367 1.00 0.00 C ATOM 935 C GLU A 59 -15.763 3.042 6.662 1.00 0.00 C ATOM 936 O GLU A 59 -15.638 2.234 5.742 1.00 0.00 O ATOM 937 CB GLU A 59 -17.495 4.708 5.897 1.00 0.00 C ATOM 938 CG GLU A 59 -17.912 3.593 4.937 1.00 0.00 C ATOM 939 CD GLU A 59 -19.377 3.746 4.521 1.00 0.00 C ATOM 940 OE1 GLU A 59 -20.079 4.529 5.197 1.00 0.00 O ATOM 941 OE2 GLU A 59 -19.761 3.077 3.538 1.00 0.00 O ATOM 0 H GLU A 59 -15.071 4.496 4.514 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.927 5.081 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -18.163 4.720 6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -17.594 5.674 5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -17.275 3.613 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -17.765 2.624 5.414 1.00 0.00 H new ATOM 948 N SER A 60 -15.665 2.736 7.947 1.00 0.00 N ATOM 949 CA SER A 60 -15.393 1.374 8.374 1.00 0.00 C ATOM 950 C SER A 60 -16.697 0.683 8.780 1.00 0.00 C ATOM 951 O SER A 60 -17.532 1.276 9.462 1.00 0.00 O ATOM 952 CB SER A 60 -14.396 1.349 9.534 1.00 0.00 C ATOM 953 OG SER A 60 -14.587 0.218 10.379 1.00 0.00 O ATOM 0 H SER A 60 -15.769 3.408 8.707 1.00 0.00 H new ATOM 0 HA SER A 60 -14.949 0.835 7.537 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.380 1.338 9.139 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.500 2.262 10.121 1.00 0.00 H new ATOM 0 HG SER A 60 -13.930 0.238 11.106 1.00 0.00 H new ATOM 959 N VAL A 61 -16.830 -0.561 8.345 1.00 0.00 N ATOM 960 CA VAL A 61 -18.018 -1.339 8.654 1.00 0.00 C ATOM 961 C VAL A 61 -17.619 -2.796 8.897 1.00 0.00 C ATOM 962 O VAL A 61 -16.733 -3.321 8.224 1.00 0.00 O ATOM 963 CB VAL A 61 -19.053 -1.180 7.539 1.00 0.00 C ATOM 964 CG1 VAL A 61 -19.968 -2.404 7.461 1.00 0.00 C ATOM 965 CG2 VAL A 61 -19.868 0.102 7.725 1.00 0.00 C ATOM 0 H VAL A 61 -16.135 -1.050 7.781 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.487 -0.974 9.568 1.00 0.00 H new ATOM 0 HB VAL A 61 -18.516 -1.102 6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -20.694 -2.265 6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.370 -3.293 7.258 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.492 -2.527 8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -20.596 0.190 6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.389 0.067 8.682 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -19.200 0.963 7.707 1.00 0.00 H new ATOM 1126 N ARG A 73 -20.908 0.770 12.067 1.00 0.00 N ATOM 1127 CA ARG A 73 -20.338 1.706 11.114 1.00 0.00 C ATOM 1128 C ARG A 73 -19.451 2.723 11.835 1.00 0.00 C ATOM 1129 O ARG A 73 -19.703 3.064 12.990 1.00 0.00 O ATOM 1130 CB ARG A 73 -21.434 2.449 10.348 1.00 0.00 C ATOM 1131 CG ARG A 73 -20.863 3.148 9.113 1.00 0.00 C ATOM 1132 CD ARG A 73 -21.880 4.120 8.513 1.00 0.00 C ATOM 1133 NE ARG A 73 -21.327 5.493 8.508 1.00 0.00 N ATOM 1134 CZ ARG A 73 -21.909 6.535 7.899 1.00 0.00 C ATOM 1135 NH1 ARG A 73 -23.064 6.368 7.243 1.00 0.00 N ATOM 1136 NH2 ARG A 73 -21.334 7.745 7.947 1.00 0.00 N ATOM 0 HA ARG A 73 -19.739 1.134 10.405 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -22.211 1.747 10.046 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -21.905 3.184 11.001 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -19.955 3.687 9.383 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.582 2.404 8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.130 3.816 7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -22.805 4.094 9.090 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.448 5.656 8.999 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -23.501 5.447 7.207 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -23.507 7.162 6.780 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -20.454 7.872 8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -21.776 8.539 7.484 1.00 0.00 H new ATOM 1150 N SER A 74 -18.430 3.180 11.124 1.00 0.00 N ATOM 1151 CA SER A 74 -17.504 4.151 11.682 1.00 0.00 C ATOM 1152 C SER A 74 -16.808 4.917 10.556 1.00 0.00 C ATOM 1153 O SER A 74 -16.979 4.593 9.381 1.00 0.00 O ATOM 1154 CB SER A 74 -16.469 3.472 12.581 1.00 0.00 C ATOM 1155 OG SER A 74 -15.525 4.402 13.105 1.00 0.00 O ATOM 0 H SER A 74 -18.224 2.896 10.166 1.00 0.00 H new ATOM 0 HA SER A 74 -18.072 4.853 12.293 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.978 2.969 13.404 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.944 2.704 12.013 1.00 0.00 H new ATOM 0 HG SER A 74 -14.883 3.930 13.675 1.00 0.00 H new ATOM 1161 N LEU A 75 -16.039 5.920 10.953 1.00 0.00 N ATOM 1162 CA LEU A 75 -15.316 6.735 9.991 1.00 0.00 C ATOM 1163 C LEU A 75 -13.852 6.845 10.421 1.00 0.00 C ATOM 1164 O LEU A 75 -13.537 6.726 11.604 1.00 0.00 O ATOM 1165 CB LEU A 75 -16.007 8.088 9.810 1.00 0.00 C ATOM 1166 CG LEU A 75 -15.816 8.762 8.449 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -16.780 8.184 7.411 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -15.945 10.282 8.567 1.00 0.00 C ATOM 0 H LEU A 75 -15.901 6.187 11.928 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.325 6.264 9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.075 7.954 9.980 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.644 8.765 10.583 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.805 8.551 8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.624 8.680 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.597 7.115 7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.807 8.344 7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.805 10.736 7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.935 10.535 8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.187 10.659 9.253 1.00 0.00 H new ATOM 1180 N LEU A 76 -12.995 7.072 9.436 1.00 0.00 N ATOM 1181 CA LEU A 76 -11.571 7.199 9.697 1.00 0.00 C ATOM 1182 C LEU A 76 -11.088 8.567 9.211 1.00 0.00 C ATOM 1183 O LEU A 76 -11.800 9.258 8.482 1.00 0.00 O ATOM 1184 CB LEU A 76 -10.807 6.024 9.084 1.00 0.00 C ATOM 1185 CG LEU A 76 -11.478 4.654 9.200 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -10.944 3.690 8.139 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -11.329 4.088 10.614 1.00 0.00 C ATOM 0 H LEU A 76 -13.259 7.171 8.456 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.374 7.153 10.768 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.640 6.236 8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.827 5.968 9.557 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.545 4.780 9.014 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.438 2.724 8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.144 4.094 7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.869 3.564 8.269 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.815 3.114 10.669 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -10.271 3.980 10.853 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.795 4.767 11.329 1.00 0.00 H new ATOM 1199 N LYS A 77 -9.883 8.918 9.633 1.00 0.00 N ATOM 1200 CA LYS A 77 -9.296 10.191 9.250 1.00 0.00 C ATOM 1201 C LYS A 77 -7.863 9.962 8.765 1.00 0.00 C ATOM 1202 O LYS A 77 -7.433 8.821 8.606 1.00 0.00 O ATOM 1203 CB LYS A 77 -9.405 11.197 10.397 1.00 0.00 C ATOM 1204 CG LYS A 77 -8.268 11.006 11.404 1.00 0.00 C ATOM 1205 CD LYS A 77 -8.018 12.289 12.199 1.00 0.00 C ATOM 1206 CE LYS A 77 -7.819 13.483 11.264 1.00 0.00 C ATOM 1207 NZ LYS A 77 -9.088 14.227 11.096 1.00 0.00 N ATOM 0 H LYS A 77 -9.296 8.343 10.237 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.847 10.630 8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.377 12.212 10.000 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.365 11.078 10.900 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.515 10.193 12.087 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.358 10.716 10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.861 12.479 12.863 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.137 12.165 12.829 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.053 14.145 11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.462 13.137 10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.237 14.435 10.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.878 13.651 11.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.041 15.118 11.631 1.00 0.00 H new ATOM 1221 N GLU A 78 -7.164 11.066 8.544 1.00 0.00 N ATOM 1222 CA GLU A 78 -5.789 11.000 8.081 1.00 0.00 C ATOM 1223 C GLU A 78 -4.886 10.429 9.176 1.00 0.00 C ATOM 1224 O GLU A 78 -4.840 10.958 10.286 1.00 0.00 O ATOM 1225 CB GLU A 78 -5.297 12.376 7.628 1.00 0.00 C ATOM 1226 CG GLU A 78 -5.619 13.446 8.673 1.00 0.00 C ATOM 1227 CD GLU A 78 -4.667 14.637 8.550 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -4.714 15.294 7.487 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -3.914 14.865 9.521 1.00 0.00 O ATOM 0 H GLU A 78 -7.525 12.011 8.677 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.748 10.333 7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.221 12.343 7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.763 12.638 6.678 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.648 13.784 8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.544 13.018 9.672 1.00 0.00 H new ATOM 1236 N GLY A 79 -4.191 9.357 8.827 1.00 0.00 N ATOM 1237 CA GLY A 79 -3.293 8.708 9.766 1.00 0.00 C ATOM 1238 C GLY A 79 -3.627 7.221 9.907 1.00 0.00 C ATOM 1239 O GLY A 79 -2.730 6.381 9.958 1.00 0.00 O ATOM 0 H GLY A 79 -4.232 8.921 7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.263 8.822 9.428 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.365 9.194 10.739 1.00 0.00 H new ATOM 1243 N ASP A 80 -4.921 6.942 9.967 1.00 0.00 N ATOM 1244 CA ASP A 80 -5.385 5.571 10.101 1.00 0.00 C ATOM 1245 C ASP A 80 -5.093 4.809 8.807 1.00 0.00 C ATOM 1246 O ASP A 80 -5.198 5.368 7.716 1.00 0.00 O ATOM 1247 CB ASP A 80 -6.894 5.523 10.348 1.00 0.00 C ATOM 1248 CG ASP A 80 -7.321 4.746 11.596 1.00 0.00 C ATOM 1249 OD1 ASP A 80 -6.748 5.036 12.668 1.00 0.00 O ATOM 1250 OD2 ASP A 80 -8.211 3.881 11.449 1.00 0.00 O ATOM 0 H ASP A 80 -5.662 7.641 9.925 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.866 5.120 10.947 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.266 6.544 10.429 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.375 5.076 9.478 1.00 0.00 H new ATOM 1255 N PHE A 81 -4.732 3.545 8.971 1.00 0.00 N ATOM 1256 CA PHE A 81 -4.424 2.701 7.830 1.00 0.00 C ATOM 1257 C PHE A 81 -5.363 1.494 7.771 1.00 0.00 C ATOM 1258 O PHE A 81 -6.046 1.187 8.746 1.00 0.00 O ATOM 1259 CB PHE A 81 -2.988 2.206 8.014 1.00 0.00 C ATOM 1260 CG PHE A 81 -2.492 2.260 9.460 1.00 0.00 C ATOM 1261 CD1 PHE A 81 -2.791 1.250 10.320 1.00 0.00 C ATOM 1262 CD2 PHE A 81 -1.752 3.319 9.886 1.00 0.00 C ATOM 1263 CE1 PHE A 81 -2.330 1.301 11.663 1.00 0.00 C ATOM 1264 CE2 PHE A 81 -1.292 3.370 11.228 1.00 0.00 C ATOM 1265 CZ PHE A 81 -1.590 2.360 12.088 1.00 0.00 C ATOM 0 H PHE A 81 -4.646 3.085 9.877 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.544 3.267 6.906 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.920 1.179 7.655 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.325 2.806 7.391 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.379 0.409 9.982 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.514 4.121 9.203 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.567 0.499 12.346 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.705 4.211 11.566 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.239 2.399 13.109 1.00 0.00 H new ATOM 1275 N CYS A 82 -5.367 0.844 6.616 1.00 0.00 N ATOM 1276 CA CYS A 82 -6.211 -0.322 6.417 1.00 0.00 C ATOM 1277 C CYS A 82 -5.308 -1.528 6.147 1.00 0.00 C ATOM 1278 O CYS A 82 -4.150 -1.368 5.766 1.00 0.00 O ATOM 1279 CB CYS A 82 -7.222 -0.103 5.290 1.00 0.00 C ATOM 1280 SG CYS A 82 -8.018 1.535 5.474 1.00 0.00 S ATOM 0 H CYS A 82 -4.799 1.103 5.809 1.00 0.00 H new ATOM 0 HA CYS A 82 -6.801 -0.504 7.315 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -6.722 -0.167 4.324 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.978 -0.888 5.310 1.00 0.00 H new ATOM 0 HG CYS A 82 -8.873 1.713 4.511 1.00 0.00 H new ATOM 1286 N GLY A 83 -5.873 -2.708 6.355 1.00 0.00 N ATOM 1287 CA GLY A 83 -5.135 -3.940 6.139 1.00 0.00 C ATOM 1288 C GLY A 83 -3.699 -3.817 6.655 1.00 0.00 C ATOM 1289 O GLY A 83 -2.752 -4.170 5.954 1.00 0.00 O ATOM 0 H GLY A 83 -6.834 -2.837 6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.638 -4.763 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.124 -4.180 5.076 1.00 0.00 H new ATOM 1293 N ASP A 84 -3.584 -3.314 7.875 1.00 0.00 N ATOM 1294 CA ASP A 84 -2.280 -3.139 8.492 1.00 0.00 C ATOM 1295 C ASP A 84 -1.666 -4.512 8.774 1.00 0.00 C ATOM 1296 O ASP A 84 -0.448 -4.675 8.713 1.00 0.00 O ATOM 1297 CB ASP A 84 -2.396 -2.391 9.822 1.00 0.00 C ATOM 1298 CG ASP A 84 -2.624 -3.280 11.046 1.00 0.00 C ATOM 1299 OD1 ASP A 84 -1.661 -3.982 11.425 1.00 0.00 O ATOM 1300 OD2 ASP A 84 -3.756 -3.239 11.575 1.00 0.00 O ATOM 0 H ASP A 84 -4.372 -3.022 8.453 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.657 -2.563 7.807 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.485 -1.812 9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.218 -1.679 9.751 1.00 0.00 H new ATOM 1305 N GLU A 85 -2.537 -5.464 9.076 1.00 0.00 N ATOM 1306 CA GLU A 85 -2.095 -6.817 9.367 1.00 0.00 C ATOM 1307 C GLU A 85 -1.073 -7.277 8.326 1.00 0.00 C ATOM 1308 O GLU A 85 -0.108 -7.963 8.659 1.00 0.00 O ATOM 1309 CB GLU A 85 -3.283 -7.779 9.433 1.00 0.00 C ATOM 1310 CG GLU A 85 -3.585 -8.180 10.878 1.00 0.00 C ATOM 1311 CD GLU A 85 -2.744 -9.387 11.300 1.00 0.00 C ATOM 1312 OE1 GLU A 85 -1.527 -9.187 11.505 1.00 0.00 O ATOM 1313 OE2 GLU A 85 -3.337 -10.482 11.407 1.00 0.00 O ATOM 0 H GLU A 85 -3.546 -5.325 9.125 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.613 -6.819 10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.161 -7.308 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.068 -8.669 8.842 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.381 -7.340 11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.644 -8.417 10.980 1.00 0.00 H new ATOM 1320 N LEU A 86 -1.320 -6.882 7.086 1.00 0.00 N ATOM 1321 CA LEU A 86 -0.434 -7.245 5.994 1.00 0.00 C ATOM 1322 C LEU A 86 0.996 -6.828 6.343 1.00 0.00 C ATOM 1323 O LEU A 86 1.929 -7.618 6.204 1.00 0.00 O ATOM 1324 CB LEU A 86 -0.940 -6.659 4.674 1.00 0.00 C ATOM 1325 CG LEU A 86 -0.095 -6.965 3.436 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -0.226 -8.435 3.032 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -0.448 -6.021 2.285 1.00 0.00 C ATOM 0 H LEU A 86 -2.122 -6.314 6.813 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.427 -8.326 5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.951 -7.028 4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.010 -5.577 4.783 1.00 0.00 H new ATOM 0 HG LEU A 86 0.952 -6.792 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.385 -8.626 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.113 -9.069 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.269 -8.659 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.167 -6.260 1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.501 -6.139 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.262 -4.991 2.589 1.00 0.00 H new ATOM 1339 N LEU A 87 1.124 -5.588 6.790 1.00 0.00 N ATOM 1340 CA LEU A 87 2.425 -5.056 7.160 1.00 0.00 C ATOM 1341 C LEU A 87 3.122 -6.038 8.104 1.00 0.00 C ATOM 1342 O LEU A 87 4.299 -6.347 7.925 1.00 0.00 O ATOM 1343 CB LEU A 87 2.283 -3.645 7.735 1.00 0.00 C ATOM 1344 CG LEU A 87 3.500 -2.731 7.577 1.00 0.00 C ATOM 1345 CD1 LEU A 87 3.611 -2.211 6.142 1.00 0.00 C ATOM 1346 CD2 LEU A 87 3.467 -1.593 8.598 1.00 0.00 C ATOM 0 H LEU A 87 0.348 -4.936 6.905 1.00 0.00 H new ATOM 0 HA LEU A 87 3.060 -4.954 6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.428 -3.164 7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.051 -3.728 8.797 1.00 0.00 H new ATOM 0 HG LEU A 87 4.397 -3.317 7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.484 -1.564 6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.714 -3.053 5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.714 -1.646 5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.343 -0.958 8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.564 -1.000 8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.471 -2.008 9.606 1.00 0.00 H new ATOM 1358 N THR A 88 2.366 -6.501 9.089 1.00 0.00 N ATOM 1359 CA THR A 88 2.897 -7.441 10.061 1.00 0.00 C ATOM 1360 C THR A 88 3.079 -8.820 9.425 1.00 0.00 C ATOM 1361 O THR A 88 4.055 -9.514 9.707 1.00 0.00 O ATOM 1362 CB THR A 88 1.961 -7.449 11.271 1.00 0.00 C ATOM 1363 OG1 THR A 88 2.637 -6.651 12.238 1.00 0.00 O ATOM 1364 CG2 THR A 88 1.864 -8.828 11.928 1.00 0.00 C ATOM 0 H THR A 88 1.390 -6.242 9.235 1.00 0.00 H new ATOM 0 HA THR A 88 3.888 -7.141 10.401 1.00 0.00 H new ATOM 0 HB THR A 88 0.967 -7.123 10.963 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.099 -6.601 13.055 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.187 -8.778 12.781 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.483 -9.550 11.205 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.852 -9.140 12.266 1.00 0.00 H new ATOM 1372 N TRP A 89 2.125 -9.177 8.577 1.00 0.00 N ATOM 1373 CA TRP A 89 2.168 -10.461 7.899 1.00 0.00 C ATOM 1374 C TRP A 89 3.571 -10.641 7.317 1.00 0.00 C ATOM 1375 O TRP A 89 4.262 -11.606 7.641 1.00 0.00 O ATOM 1376 CB TRP A 89 1.065 -10.560 6.843 1.00 0.00 C ATOM 1377 CG TRP A 89 1.267 -11.695 5.837 1.00 0.00 C ATOM 1378 CD1 TRP A 89 0.862 -12.968 5.937 1.00 0.00 C ATOM 1379 CD2 TRP A 89 1.945 -11.607 4.566 1.00 0.00 C ATOM 1380 NE1 TRP A 89 1.227 -13.704 4.828 1.00 0.00 N ATOM 1381 CE2 TRP A 89 1.907 -12.850 3.968 1.00 0.00 C ATOM 1382 CE3 TRP A 89 2.570 -10.513 3.942 1.00 0.00 C ATOM 1383 CZ2 TRP A 89 2.476 -13.117 2.717 1.00 0.00 C ATOM 1384 CZ3 TRP A 89 3.134 -10.796 2.692 1.00 0.00 C ATOM 1385 CH2 TRP A 89 3.104 -12.042 2.077 1.00 0.00 C ATOM 0 H TRP A 89 1.318 -8.599 8.344 1.00 0.00 H new ATOM 0 HA TRP A 89 1.975 -11.274 8.599 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.107 -10.699 7.345 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.008 -9.615 6.303 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.318 -13.368 6.780 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.033 -14.693 4.669 1.00 0.00 H new ATOM 0 HE3 TRP A 89 2.612 -9.532 4.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 2.433 -14.099 2.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 3.627 -9.990 2.169 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.563 -12.180 1.109 1.00 0.00 H new ATOM 1396 N ALA A 90 3.951 -9.697 6.467 1.00 0.00 N ATOM 1397 CA ALA A 90 5.259 -9.740 5.837 1.00 0.00 C ATOM 1398 C ALA A 90 6.342 -9.703 6.917 1.00 0.00 C ATOM 1399 O ALA A 90 7.309 -10.461 6.859 1.00 0.00 O ATOM 1400 CB ALA A 90 5.386 -8.583 4.844 1.00 0.00 C ATOM 0 H ALA A 90 3.375 -8.898 6.201 1.00 0.00 H new ATOM 0 HA ALA A 90 5.384 -10.666 5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.368 -8.615 4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.613 -8.672 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.268 -7.636 5.371 1.00 0.00 H new ATOM 1406 N LEU A 91 6.144 -8.812 7.878 1.00 0.00 N ATOM 1407 CA LEU A 91 7.092 -8.665 8.969 1.00 0.00 C ATOM 1408 C LEU A 91 7.166 -9.977 9.755 1.00 0.00 C ATOM 1409 O LEU A 91 8.084 -10.178 10.548 1.00 0.00 O ATOM 1410 CB LEU A 91 6.735 -7.452 9.830 1.00 0.00 C ATOM 1411 CG LEU A 91 7.677 -6.252 9.723 1.00 0.00 C ATOM 1412 CD1 LEU A 91 8.197 -6.089 8.293 1.00 0.00 C ATOM 1413 CD2 LEU A 91 7.004 -4.978 10.236 1.00 0.00 C ATOM 0 H LEU A 91 5.341 -8.185 7.923 1.00 0.00 H new ATOM 0 HA LEU A 91 8.091 -8.468 8.581 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.730 -7.125 9.562 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.700 -7.769 10.872 1.00 0.00 H new ATOM 0 HG LEU A 91 8.541 -6.439 10.361 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.865 -5.229 8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.740 -6.987 7.999 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.357 -5.935 7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.696 -4.140 10.148 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.111 -4.775 9.645 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.724 -5.110 11.281 1.00 0.00 H new ATOM 1425 N ASP A 92 6.186 -10.834 9.506 1.00 0.00 N ATOM 1426 CA ASP A 92 6.128 -12.120 10.180 1.00 0.00 C ATOM 1427 C ASP A 92 6.514 -13.225 9.195 1.00 0.00 C ATOM 1428 O ASP A 92 5.763 -13.526 8.269 1.00 0.00 O ATOM 1429 CB ASP A 92 4.715 -12.412 10.689 1.00 0.00 C ATOM 1430 CG ASP A 92 4.589 -12.543 12.208 1.00 0.00 C ATOM 1431 OD1 ASP A 92 5.251 -11.742 12.903 1.00 0.00 O ATOM 1432 OD2 ASP A 92 3.833 -13.440 12.639 1.00 0.00 O ATOM 0 H ASP A 92 5.426 -10.663 8.847 1.00 0.00 H new ATOM 0 HA ASP A 92 6.816 -12.089 11.025 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.052 -11.615 10.352 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.363 -13.336 10.229 1.00 0.00 H new ATOM 1437 N PRO A 93 7.716 -13.814 9.434 1.00 0.00 N ATOM 1438 CA PRO A 93 8.211 -14.879 8.578 1.00 0.00 C ATOM 1439 C PRO A 93 7.474 -16.191 8.854 1.00 0.00 C ATOM 1440 O PRO A 93 7.306 -17.014 7.956 1.00 0.00 O ATOM 1441 CB PRO A 93 9.700 -14.961 8.873 1.00 0.00 C ATOM 1442 CG PRO A 93 9.899 -14.264 10.209 1.00 0.00 C ATOM 1443 CD PRO A 93 8.633 -13.483 10.521 1.00 0.00 C ATOM 0 HA PRO A 93 8.038 -14.683 7.520 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.032 -15.998 8.920 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.281 -14.476 8.089 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.101 -14.993 10.994 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.759 -13.596 10.166 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.220 -13.769 11.488 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.829 -12.411 10.562 1.00 0.00 H new ATOM 1451 N LYS A 94 7.053 -16.345 10.101 1.00 0.00 N ATOM 1452 CA LYS A 94 6.338 -17.543 10.507 1.00 0.00 C ATOM 1453 C LYS A 94 5.079 -17.695 9.651 1.00 0.00 C ATOM 1454 O LYS A 94 4.687 -18.809 9.308 1.00 0.00 O ATOM 1455 CB LYS A 94 6.059 -17.517 12.011 1.00 0.00 C ATOM 1456 CG LYS A 94 7.353 -17.329 12.805 1.00 0.00 C ATOM 1457 CD LYS A 94 8.376 -18.411 12.452 1.00 0.00 C ATOM 1458 CE LYS A 94 9.046 -18.964 13.711 1.00 0.00 C ATOM 1459 NZ LYS A 94 10.418 -18.424 13.847 1.00 0.00 N ATOM 0 H LYS A 94 7.193 -15.660 10.844 1.00 0.00 H new ATOM 0 HA LYS A 94 6.950 -18.428 10.335 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.366 -16.708 12.242 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.576 -18.447 12.311 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.772 -16.345 12.596 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.137 -17.363 13.873 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.883 -19.220 11.913 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.132 -17.998 11.785 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.456 -18.701 14.589 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.080 -20.052 13.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.859 -18.809 14.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.982 -18.696 13.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.378 -17.387 13.913 1.00 0.00 H new ATOM 1516 N LEU A 99 -2.502 -15.385 2.513 1.00 0.00 N ATOM 1517 CA LEU A 99 -2.534 -13.951 2.745 1.00 0.00 C ATOM 1518 C LEU A 99 -3.303 -13.665 4.037 1.00 0.00 C ATOM 1519 O LEU A 99 -4.108 -14.483 4.479 1.00 0.00 O ATOM 1520 CB LEU A 99 -3.093 -13.223 1.522 1.00 0.00 C ATOM 1521 CG LEU A 99 -2.275 -13.347 0.235 1.00 0.00 C ATOM 1522 CD1 LEU A 99 -3.070 -12.843 -0.971 1.00 0.00 C ATOM 1523 CD2 LEU A 99 -0.927 -12.636 0.371 1.00 0.00 C ATOM 0 HA LEU A 99 -1.524 -13.564 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.098 -13.599 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.190 -12.165 1.767 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.066 -14.403 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.465 -12.942 -1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.981 -13.432 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.331 -11.795 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.366 -12.740 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.093 -11.579 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.361 -13.082 1.189 1.00 0.00 H new ATOM 1535 N PRO A 100 -3.021 -12.469 4.621 1.00 0.00 N ATOM 1536 CA PRO A 100 -3.677 -12.065 5.852 1.00 0.00 C ATOM 1537 C PRO A 100 -5.121 -11.634 5.588 1.00 0.00 C ATOM 1538 O PRO A 100 -5.560 -11.591 4.440 1.00 0.00 O ATOM 1539 CB PRO A 100 -2.815 -10.943 6.407 1.00 0.00 C ATOM 1540 CG PRO A 100 -1.974 -10.448 5.241 1.00 0.00 C ATOM 1541 CD PRO A 100 -2.073 -11.475 4.125 1.00 0.00 C ATOM 0 HA PRO A 100 -3.759 -12.880 6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.432 -10.141 6.812 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.183 -11.301 7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.331 -9.477 4.898 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.936 -10.316 5.548 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.424 -11.021 3.198 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.103 -11.924 3.913 1.00 0.00 H new ATOM 1549 N SER A 101 -5.820 -11.326 6.670 1.00 0.00 N ATOM 1550 CA SER A 101 -7.206 -10.900 6.570 1.00 0.00 C ATOM 1551 C SER A 101 -7.371 -9.507 7.180 1.00 0.00 C ATOM 1552 O SER A 101 -6.723 -9.179 8.173 1.00 0.00 O ATOM 1553 CB SER A 101 -8.140 -11.896 7.262 1.00 0.00 C ATOM 1554 OG SER A 101 -7.804 -13.246 6.952 1.00 0.00 O ATOM 0 H SER A 101 -5.453 -11.363 7.621 1.00 0.00 H new ATOM 0 HA SER A 101 -7.476 -10.862 5.515 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.092 -11.749 8.341 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.168 -11.699 6.959 1.00 0.00 H new ATOM 0 HG SER A 101 -8.421 -13.851 7.414 1.00 0.00 H new ATOM 1560 N SER A 102 -8.240 -8.723 6.559 1.00 0.00 N ATOM 1561 CA SER A 102 -8.498 -7.372 7.028 1.00 0.00 C ATOM 1562 C SER A 102 -9.177 -7.415 8.399 1.00 0.00 C ATOM 1563 O SER A 102 -9.694 -8.454 8.807 1.00 0.00 O ATOM 1564 CB SER A 102 -9.363 -6.599 6.031 1.00 0.00 C ATOM 1565 OG SER A 102 -9.359 -5.198 6.295 1.00 0.00 O ATOM 0 H SER A 102 -8.775 -8.998 5.735 1.00 0.00 H new ATOM 0 HA SER A 102 -7.544 -6.853 7.118 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.999 -6.778 5.019 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.386 -6.973 6.072 1.00 0.00 H new ATOM 0 HG SER A 102 -10.263 -4.909 6.540 1.00 0.00 H new ATOM 1571 N THR A 103 -9.154 -6.273 9.071 1.00 0.00 N ATOM 1572 CA THR A 103 -9.761 -6.167 10.387 1.00 0.00 C ATOM 1573 C THR A 103 -11.207 -5.681 10.269 1.00 0.00 C ATOM 1574 O THR A 103 -12.062 -6.067 11.065 1.00 0.00 O ATOM 1575 CB THR A 103 -8.880 -5.254 11.241 1.00 0.00 C ATOM 1576 OG1 THR A 103 -8.643 -4.122 10.409 1.00 0.00 O ATOM 1577 CG2 THR A 103 -7.487 -5.840 11.480 1.00 0.00 C ATOM 0 H THR A 103 -8.725 -5.413 8.729 1.00 0.00 H new ATOM 0 HA THR A 103 -9.817 -7.139 10.877 1.00 0.00 H new ATOM 0 HB THR A 103 -9.367 -5.074 12.200 1.00 0.00 H new ATOM 0 HG1 THR A 103 -7.770 -3.733 10.627 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.903 -5.152 12.091 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.578 -6.796 11.996 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.986 -5.990 10.523 1.00 0.00 H new ATOM 1585 N ARG A 104 -11.436 -4.840 9.271 1.00 0.00 N ATOM 1586 CA ARG A 104 -12.763 -4.297 9.039 1.00 0.00 C ATOM 1587 C ARG A 104 -12.942 -3.946 7.561 1.00 0.00 C ATOM 1588 O ARG A 104 -11.967 -3.864 6.816 1.00 0.00 O ATOM 1589 CB ARG A 104 -13.002 -3.046 9.886 1.00 0.00 C ATOM 1590 CG ARG A 104 -12.170 -1.869 9.372 1.00 0.00 C ATOM 1591 CD ARG A 104 -10.729 -1.953 9.880 1.00 0.00 C ATOM 1592 NE ARG A 104 -10.706 -1.854 11.357 1.00 0.00 N ATOM 1593 CZ ARG A 104 -9.618 -1.537 12.072 1.00 0.00 C ATOM 1594 NH1 ARG A 104 -8.457 -1.288 11.450 1.00 0.00 N ATOM 1595 NH2 ARG A 104 -9.690 -1.470 13.408 1.00 0.00 N ATOM 0 H ARG A 104 -10.724 -4.521 8.614 1.00 0.00 H new ATOM 0 HA ARG A 104 -13.488 -5.059 9.325 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -14.060 -2.785 9.865 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.745 -3.251 10.925 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.175 -1.864 8.282 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.620 -0.931 9.698 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.277 -2.893 9.563 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.134 -1.151 9.444 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.573 -2.039 11.862 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.402 -1.340 10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.629 -1.047 11.994 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.573 -1.660 13.881 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.862 -1.229 13.952 1.00 0.00 H new ATOM 1609 N THR A 105 -14.196 -3.747 7.180 1.00 0.00 N ATOM 1610 CA THR A 105 -14.515 -3.406 5.804 1.00 0.00 C ATOM 1611 C THR A 105 -14.584 -1.888 5.633 1.00 0.00 C ATOM 1612 O THR A 105 -15.484 -1.240 6.167 1.00 0.00 O ATOM 1613 CB THR A 105 -15.816 -4.120 5.430 1.00 0.00 C ATOM 1614 OG1 THR A 105 -15.492 -5.504 5.525 1.00 0.00 O ATOM 1615 CG2 THR A 105 -16.189 -3.924 3.959 1.00 0.00 C ATOM 0 H THR A 105 -15.003 -3.815 7.800 1.00 0.00 H new ATOM 0 HA THR A 105 -13.735 -3.743 5.122 1.00 0.00 H new ATOM 0 HB THR A 105 -16.626 -3.754 6.061 1.00 0.00 H new ATOM 0 HG1 THR A 105 -16.281 -6.041 5.300 1.00 0.00 H new ATOM 0 HG21 THR A 105 -17.119 -4.451 3.746 1.00 0.00 H new ATOM 0 HG22 THR A 105 -16.319 -2.861 3.755 1.00 0.00 H new ATOM 0 HG23 THR A 105 -15.395 -4.320 3.326 1.00 0.00 H new ATOM 1623 N VAL A 106 -13.623 -1.364 4.887 1.00 0.00 N ATOM 1624 CA VAL A 106 -13.563 0.067 4.639 1.00 0.00 C ATOM 1625 C VAL A 106 -13.871 0.338 3.165 1.00 0.00 C ATOM 1626 O VAL A 106 -13.474 -0.433 2.293 1.00 0.00 O ATOM 1627 CB VAL A 106 -12.205 0.618 5.077 1.00 0.00 C ATOM 1628 CG1 VAL A 106 -11.966 2.012 4.496 1.00 0.00 C ATOM 1629 CG2 VAL A 106 -12.085 0.631 6.603 1.00 0.00 C ATOM 0 H VAL A 106 -12.879 -1.905 4.446 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.316 0.589 5.230 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.433 -0.044 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.994 2.381 4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -11.988 1.961 3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -12.746 2.689 4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.110 1.027 6.888 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.869 1.260 7.024 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.190 -0.385 6.985 1.00 0.00 H new ATOM 1639 N LYS A 107 -14.577 1.435 2.933 1.00 0.00 N ATOM 1640 CA LYS A 107 -14.943 1.817 1.580 1.00 0.00 C ATOM 1641 C LYS A 107 -14.617 3.296 1.367 1.00 0.00 C ATOM 1642 O LYS A 107 -14.400 4.033 2.328 1.00 0.00 O ATOM 1643 CB LYS A 107 -16.405 1.463 1.300 1.00 0.00 C ATOM 1644 CG LYS A 107 -16.588 0.989 -0.143 1.00 0.00 C ATOM 1645 CD LYS A 107 -17.960 1.396 -0.684 1.00 0.00 C ATOM 1646 CE LYS A 107 -17.974 2.871 -1.089 1.00 0.00 C ATOM 1647 NZ LYS A 107 -19.238 3.206 -1.783 1.00 0.00 N ATOM 0 H LYS A 107 -14.905 2.071 3.659 1.00 0.00 H new ATOM 0 HA LYS A 107 -14.358 1.253 0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -16.732 0.682 1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -17.035 2.333 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -15.805 1.414 -0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -16.482 -0.095 -0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -18.214 0.777 -1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -18.722 1.216 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -17.860 3.498 -0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -17.127 3.083 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.051 3.910 -2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -19.636 2.347 -2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -19.917 3.597 -1.099 1.00 0.00 H new ATOM 1661 N ALA A 108 -14.593 3.688 0.101 1.00 0.00 N ATOM 1662 CA ALA A 108 -14.298 5.066 -0.251 1.00 0.00 C ATOM 1663 C ALA A 108 -15.597 5.782 -0.625 1.00 0.00 C ATOM 1664 O ALA A 108 -16.207 5.474 -1.648 1.00 0.00 O ATOM 1665 CB ALA A 108 -13.269 5.095 -1.382 1.00 0.00 C ATOM 0 H ALA A 108 -14.773 3.074 -0.694 1.00 0.00 H new ATOM 0 HA ALA A 108 -13.864 5.594 0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.048 6.129 -1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.355 4.600 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.670 4.576 -2.253 1.00 0.00 H new ATOM 1671 N LEU A 109 -15.981 6.725 0.223 1.00 0.00 N ATOM 1672 CA LEU A 109 -17.196 7.488 -0.007 1.00 0.00 C ATOM 1673 C LEU A 109 -16.836 8.839 -0.628 1.00 0.00 C ATOM 1674 O LEU A 109 -17.663 9.461 -1.292 1.00 0.00 O ATOM 1675 CB LEU A 109 -18.009 7.602 1.284 1.00 0.00 C ATOM 1676 CG LEU A 109 -17.934 6.403 2.232 1.00 0.00 C ATOM 1677 CD1 LEU A 109 -16.884 6.630 3.322 1.00 0.00 C ATOM 1678 CD2 LEU A 109 -19.310 6.081 2.819 1.00 0.00 C ATOM 0 H LEU A 109 -15.472 6.978 1.070 1.00 0.00 H new ATOM 0 HA LEU A 109 -17.841 6.972 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -17.674 8.488 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -19.054 7.766 1.019 1.00 0.00 H new ATOM 0 HG LEU A 109 -17.618 5.533 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -16.851 5.763 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -15.906 6.773 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -17.145 7.516 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -19.229 5.225 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -19.679 6.943 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -20.004 5.845 2.012 1.00 0.00 H new ATOM 1690 N THR A 110 -15.600 9.253 -0.389 1.00 0.00 N ATOM 1691 CA THR A 110 -15.120 10.519 -0.917 1.00 0.00 C ATOM 1692 C THR A 110 -13.716 10.355 -1.502 1.00 0.00 C ATOM 1693 O THR A 110 -12.976 9.455 -1.106 1.00 0.00 O ATOM 1694 CB THR A 110 -15.194 11.557 0.205 1.00 0.00 C ATOM 1695 OG1 THR A 110 -14.603 12.723 -0.362 1.00 0.00 O ATOM 1696 CG2 THR A 110 -14.281 11.212 1.383 1.00 0.00 C ATOM 0 H THR A 110 -14.917 8.734 0.163 1.00 0.00 H new ATOM 0 HA THR A 110 -15.743 10.866 -1.742 1.00 0.00 H new ATOM 0 HB THR A 110 -16.223 11.640 0.555 1.00 0.00 H new ATOM 0 HG1 THR A 110 -14.611 13.448 0.298 1.00 0.00 H new ATOM 0 HG21 THR A 110 -14.372 11.980 2.151 1.00 0.00 H new ATOM 0 HG22 THR A 110 -14.572 10.247 1.799 1.00 0.00 H new ATOM 0 HG23 THR A 110 -13.248 11.162 1.040 1.00 0.00 H new ATOM 1704 N GLU A 111 -13.391 11.239 -2.434 1.00 0.00 N ATOM 1705 CA GLU A 111 -12.088 11.203 -3.077 1.00 0.00 C ATOM 1706 C GLU A 111 -10.991 10.953 -2.040 1.00 0.00 C ATOM 1707 O GLU A 111 -10.840 11.722 -1.092 1.00 0.00 O ATOM 1708 CB GLU A 111 -11.824 12.495 -3.853 1.00 0.00 C ATOM 1709 CG GLU A 111 -10.723 12.293 -4.895 1.00 0.00 C ATOM 1710 CD GLU A 111 -10.272 13.632 -5.483 1.00 0.00 C ATOM 1711 OE1 GLU A 111 -9.800 14.471 -4.686 1.00 0.00 O ATOM 1712 OE2 GLU A 111 -10.409 13.786 -6.716 1.00 0.00 O ATOM 0 H GLU A 111 -14.007 11.984 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.080 10.380 -3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.740 12.821 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.534 13.286 -3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.872 11.788 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.087 11.645 -5.693 1.00 0.00 H new ATOM 1719 N VAL A 112 -10.253 9.873 -2.255 1.00 0.00 N ATOM 1720 CA VAL A 112 -9.175 9.512 -1.351 1.00 0.00 C ATOM 1721 C VAL A 112 -7.838 9.627 -2.087 1.00 0.00 C ATOM 1722 O VAL A 112 -7.782 9.476 -3.307 1.00 0.00 O ATOM 1723 CB VAL A 112 -9.421 8.116 -0.774 1.00 0.00 C ATOM 1724 CG1 VAL A 112 -8.576 7.885 0.480 1.00 0.00 C ATOM 1725 CG2 VAL A 112 -10.907 7.898 -0.483 1.00 0.00 C ATOM 0 H VAL A 112 -10.381 9.237 -3.042 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.141 10.198 -0.505 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.116 7.385 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.770 6.886 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.519 7.978 0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.836 8.626 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.055 6.899 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.249 8.640 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.477 8.000 -1.406 1.00 0.00 H new ATOM 1735 N GLU A 113 -6.795 9.893 -1.315 1.00 0.00 N ATOM 1736 CA GLU A 113 -5.462 10.030 -1.878 1.00 0.00 C ATOM 1737 C GLU A 113 -4.455 9.217 -1.063 1.00 0.00 C ATOM 1738 O GLU A 113 -4.095 9.603 0.048 1.00 0.00 O ATOM 1739 CB GLU A 113 -5.048 11.501 -1.953 1.00 0.00 C ATOM 1740 CG GLU A 113 -5.573 12.155 -3.232 1.00 0.00 C ATOM 1741 CD GLU A 113 -5.024 13.575 -3.388 1.00 0.00 C ATOM 1742 OE1 GLU A 113 -3.840 13.686 -3.773 1.00 0.00 O ATOM 1743 OE2 GLU A 113 -5.801 14.516 -3.119 1.00 0.00 O ATOM 0 H GLU A 113 -6.846 10.017 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.476 9.638 -2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.432 12.035 -1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -3.961 11.578 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -5.287 11.554 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.662 12.183 -3.209 1.00 0.00 H new ATOM 1750 N ALA A 114 -4.029 8.107 -1.646 1.00 0.00 N ATOM 1751 CA ALA A 114 -3.070 7.236 -0.988 1.00 0.00 C ATOM 1752 C ALA A 114 -2.401 6.340 -2.032 1.00 0.00 C ATOM 1753 O ALA A 114 -2.771 6.363 -3.204 1.00 0.00 O ATOM 1754 CB ALA A 114 -3.778 6.431 0.104 1.00 0.00 C ATOM 0 H ALA A 114 -4.330 7.790 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.287 7.821 -0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.059 5.777 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.211 7.113 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.569 5.829 -0.343 1.00 0.00 H new ATOM 1760 N PHE A 115 -1.426 5.571 -1.568 1.00 0.00 N ATOM 1761 CA PHE A 115 -0.702 4.669 -2.447 1.00 0.00 C ATOM 1762 C PHE A 115 -0.997 3.209 -2.098 1.00 0.00 C ATOM 1763 O PHE A 115 -1.671 2.927 -1.108 1.00 0.00 O ATOM 1764 CB PHE A 115 0.789 4.940 -2.235 1.00 0.00 C ATOM 1765 CG PHE A 115 1.235 6.338 -2.669 1.00 0.00 C ATOM 1766 CD1 PHE A 115 1.106 7.388 -1.815 1.00 0.00 C ATOM 1767 CD2 PHE A 115 1.760 6.530 -3.909 1.00 0.00 C ATOM 1768 CE1 PHE A 115 1.520 8.685 -2.217 1.00 0.00 C ATOM 1769 CE2 PHE A 115 2.174 7.827 -4.311 1.00 0.00 C ATOM 1770 CZ PHE A 115 2.046 8.877 -3.457 1.00 0.00 C ATOM 0 H PHE A 115 -1.121 5.554 -0.595 1.00 0.00 H new ATOM 0 HA PHE A 115 -1.003 4.835 -3.481 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.026 4.806 -1.180 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.365 4.198 -2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.689 7.235 -0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.862 5.696 -4.588 1.00 0.00 H new ATOM 0 HE1 PHE A 115 1.417 9.519 -1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.591 7.980 -5.296 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.362 9.863 -3.763 1.00 0.00 H new ATOM 1780 N ALA A 116 -0.478 2.318 -2.930 1.00 0.00 N ATOM 1781 CA ALA A 116 -0.678 0.894 -2.722 1.00 0.00 C ATOM 1782 C ALA A 116 0.639 0.260 -2.270 1.00 0.00 C ATOM 1783 O ALA A 116 1.692 0.891 -2.339 1.00 0.00 O ATOM 1784 CB ALA A 116 -1.219 0.261 -4.006 1.00 0.00 C ATOM 0 H ALA A 116 0.081 2.555 -3.750 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.415 0.720 -1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.369 -0.807 -3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.169 0.726 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.505 0.413 -4.815 1.00 0.00 H new ATOM 1790 N LEU A 117 0.536 -0.981 -1.817 1.00 0.00 N ATOM 1791 CA LEU A 117 1.706 -1.708 -1.353 1.00 0.00 C ATOM 1792 C LEU A 117 1.430 -3.211 -1.429 1.00 0.00 C ATOM 1793 O LEU A 117 0.492 -3.706 -0.806 1.00 0.00 O ATOM 1794 CB LEU A 117 2.117 -1.228 0.040 1.00 0.00 C ATOM 1795 CG LEU A 117 3.621 -1.191 0.320 1.00 0.00 C ATOM 1796 CD1 LEU A 117 4.296 -2.484 -0.142 1.00 0.00 C ATOM 1797 CD2 LEU A 117 4.266 0.047 -0.306 1.00 0.00 C ATOM 0 H LEU A 117 -0.339 -1.502 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 117 2.561 -1.507 -1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.715 -0.226 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.646 -1.875 0.779 1.00 0.00 H new ATOM 0 HG LEU A 117 3.766 -1.119 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.364 -2.432 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.862 -3.331 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.143 -2.611 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.335 0.048 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.112 0.031 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.811 0.945 0.112 1.00 0.00 H new ATOM 1809 N ILE A 118 2.265 -3.895 -2.197 1.00 0.00 N ATOM 1810 CA ILE A 118 2.123 -5.332 -2.362 1.00 0.00 C ATOM 1811 C ILE A 118 2.853 -6.047 -1.223 1.00 0.00 C ATOM 1812 O ILE A 118 3.912 -5.601 -0.784 1.00 0.00 O ATOM 1813 CB ILE A 118 2.589 -5.760 -3.755 1.00 0.00 C ATOM 1814 CG1 ILE A 118 2.659 -7.284 -3.865 1.00 0.00 C ATOM 1815 CG2 ILE A 118 3.920 -5.097 -4.115 1.00 0.00 C ATOM 1816 CD1 ILE A 118 2.814 -7.722 -5.323 1.00 0.00 C ATOM 0 H ILE A 118 3.042 -3.481 -2.712 1.00 0.00 H new ATOM 0 HA ILE A 118 1.074 -5.620 -2.299 1.00 0.00 H new ATOM 0 HB ILE A 118 1.852 -5.419 -4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.499 -7.656 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.756 -7.725 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 118 4.229 -5.418 -5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 118 3.802 -4.014 -4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.679 -5.387 -3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.861 -8.810 -5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.960 -7.369 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.731 -7.300 -5.734 1.00 0.00 H new ATOM 1828 N ALA A 119 2.258 -7.143 -0.777 1.00 0.00 N ATOM 1829 CA ALA A 119 2.838 -7.923 0.303 1.00 0.00 C ATOM 1830 C ALA A 119 4.188 -8.484 -0.148 1.00 0.00 C ATOM 1831 O ALA A 119 5.182 -8.370 0.568 1.00 0.00 O ATOM 1832 CB ALA A 119 1.860 -9.023 0.721 1.00 0.00 C ATOM 0 H ALA A 119 1.380 -7.510 -1.144 1.00 0.00 H new ATOM 0 HA ALA A 119 3.016 -7.296 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.295 -9.608 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.928 -8.571 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.660 -9.674 -0.130 1.00 0.00 H new ATOM 1838 N ASP A 120 4.181 -9.078 -1.332 1.00 0.00 N ATOM 1839 CA ASP A 120 5.393 -9.657 -1.887 1.00 0.00 C ATOM 1840 C ASP A 120 6.564 -8.701 -1.651 1.00 0.00 C ATOM 1841 O ASP A 120 7.438 -8.976 -0.830 1.00 0.00 O ATOM 1842 CB ASP A 120 5.258 -9.876 -3.395 1.00 0.00 C ATOM 1843 CG ASP A 120 5.370 -11.332 -3.850 1.00 0.00 C ATOM 1844 OD1 ASP A 120 5.866 -12.143 -3.039 1.00 0.00 O ATOM 1845 OD2 ASP A 120 4.956 -11.601 -4.998 1.00 0.00 O ATOM 0 H ASP A 120 3.355 -9.171 -1.923 1.00 0.00 H new ATOM 0 HA ASP A 120 5.564 -10.616 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 120 4.294 -9.483 -3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.027 -9.293 -3.902 1.00 0.00 H new ATOM 1850 N GLU A 121 6.543 -7.598 -2.384 1.00 0.00 N ATOM 1851 CA GLU A 121 7.593 -6.600 -2.265 1.00 0.00 C ATOM 1852 C GLU A 121 7.851 -6.275 -0.792 1.00 0.00 C ATOM 1853 O GLU A 121 8.985 -5.999 -0.403 1.00 0.00 O ATOM 1854 CB GLU A 121 7.239 -5.336 -3.051 1.00 0.00 C ATOM 1855 CG GLU A 121 7.063 -5.647 -4.539 1.00 0.00 C ATOM 1856 CD GLU A 121 8.393 -5.526 -5.286 1.00 0.00 C ATOM 1857 OE1 GLU A 121 9.193 -6.480 -5.179 1.00 0.00 O ATOM 1858 OE2 GLU A 121 8.579 -4.481 -5.947 1.00 0.00 O ATOM 0 H GLU A 121 5.816 -7.373 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 121 8.508 -7.010 -2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.320 -4.903 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.024 -4.591 -2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.665 -6.655 -4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.334 -4.963 -4.973 1.00 0.00 H new ATOM 1865 N LEU A 122 6.780 -6.319 -0.013 1.00 0.00 N ATOM 1866 CA LEU A 122 6.877 -6.033 1.408 1.00 0.00 C ATOM 1867 C LEU A 122 7.722 -7.113 2.086 1.00 0.00 C ATOM 1868 O LEU A 122 8.842 -6.849 2.519 1.00 0.00 O ATOM 1869 CB LEU A 122 5.483 -5.870 2.018 1.00 0.00 C ATOM 1870 CG LEU A 122 5.351 -4.815 3.118 1.00 0.00 C ATOM 1871 CD1 LEU A 122 3.881 -4.554 3.454 1.00 0.00 C ATOM 1872 CD2 LEU A 122 6.160 -5.209 4.356 1.00 0.00 C ATOM 0 H LEU A 122 5.841 -6.548 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 122 7.385 -5.082 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 122 4.785 -5.622 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.172 -6.832 2.425 1.00 0.00 H new ATOM 0 HG LEU A 122 5.768 -3.879 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.815 -3.800 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.362 -4.198 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.417 -5.478 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 122 6.049 -4.442 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 122 5.796 -6.162 4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.212 -5.304 4.088 1.00 0.00 H new ATOM 1884 N LYS A 123 7.153 -8.308 2.155 1.00 0.00 N ATOM 1885 CA LYS A 123 7.840 -9.429 2.772 1.00 0.00 C ATOM 1886 C LYS A 123 9.293 -9.458 2.293 1.00 0.00 C ATOM 1887 O LYS A 123 10.209 -9.658 3.089 1.00 0.00 O ATOM 1888 CB LYS A 123 7.080 -10.732 2.512 1.00 0.00 C ATOM 1889 CG LYS A 123 7.451 -11.798 3.545 1.00 0.00 C ATOM 1890 CD LYS A 123 6.204 -12.520 4.059 1.00 0.00 C ATOM 1891 CE LYS A 123 6.139 -13.952 3.523 1.00 0.00 C ATOM 1892 NZ LYS A 123 7.142 -14.804 4.199 1.00 0.00 N ATOM 0 H LYS A 123 6.224 -8.524 1.794 1.00 0.00 H new ATOM 0 HA LYS A 123 7.864 -9.312 3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.007 -10.544 2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.308 -11.096 1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.135 -12.519 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 123 7.977 -11.334 4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.212 -12.536 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 123 5.312 -11.973 3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 123 5.141 -14.361 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 123 6.318 -13.953 2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 6.975 -15.800 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.096 -14.527 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 7.061 -14.685 5.229 1.00 0.00 H new ATOM 1906 N PHE A 124 9.457 -9.255 0.994 1.00 0.00 N ATOM 1907 CA PHE A 124 10.783 -9.256 0.399 1.00 0.00 C ATOM 1908 C PHE A 124 11.703 -8.261 1.110 1.00 0.00 C ATOM 1909 O PHE A 124 12.706 -8.654 1.704 1.00 0.00 O ATOM 1910 CB PHE A 124 10.618 -8.826 -1.060 1.00 0.00 C ATOM 1911 CG PHE A 124 11.941 -8.615 -1.800 1.00 0.00 C ATOM 1912 CD1 PHE A 124 12.583 -7.419 -1.718 1.00 0.00 C ATOM 1913 CD2 PHE A 124 12.474 -9.624 -2.540 1.00 0.00 C ATOM 1914 CE1 PHE A 124 13.811 -7.224 -2.404 1.00 0.00 C ATOM 1915 CE2 PHE A 124 13.702 -9.428 -3.227 1.00 0.00 C ATOM 1916 CZ PHE A 124 14.344 -8.232 -3.144 1.00 0.00 C ATOM 0 H PHE A 124 8.694 -9.089 0.337 1.00 0.00 H new ATOM 0 HA PHE A 124 11.229 -10.247 0.484 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.035 -9.581 -1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 124 10.044 -7.900 -1.093 1.00 0.00 H new ATOM 0 HD1 PHE A 124 12.159 -6.618 -1.131 1.00 0.00 H new ATOM 0 HD2 PHE A 124 11.964 -10.574 -2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 124 14.322 -6.275 -2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 124 14.126 -10.229 -3.815 1.00 0.00 H new ATOM 0 HZ PHE A 124 15.278 -8.083 -3.666 1.00 0.00 H new ATOM 1926 N VAL A 125 11.330 -6.993 1.025 1.00 0.00 N ATOM 1927 CA VAL A 125 12.109 -5.940 1.653 1.00 0.00 C ATOM 1928 C VAL A 125 12.167 -6.185 3.162 1.00 0.00 C ATOM 1929 O VAL A 125 13.104 -5.749 3.830 1.00 0.00 O ATOM 1930 CB VAL A 125 11.527 -4.572 1.292 1.00 0.00 C ATOM 1931 CG1 VAL A 125 10.437 -4.160 2.283 1.00 0.00 C ATOM 1932 CG2 VAL A 125 12.627 -3.511 1.214 1.00 0.00 C ATOM 0 H VAL A 125 10.498 -6.671 0.530 1.00 0.00 H new ATOM 0 HA VAL A 125 13.134 -5.951 1.282 1.00 0.00 H new ATOM 0 HB VAL A 125 11.069 -4.653 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 125 10.041 -3.184 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.633 -4.896 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 125 10.859 -4.106 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 125 12.186 -2.548 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 125 13.127 -3.434 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 125 13.352 -3.794 0.451 1.00 0.00 H new ATOM 1942 N ALA A 126 11.154 -6.882 3.656 1.00 0.00 N ATOM 1943 CA ALA A 126 11.078 -7.190 5.074 1.00 0.00 C ATOM 1944 C ALA A 126 12.097 -8.281 5.409 1.00 0.00 C ATOM 1945 O ALA A 126 12.728 -8.243 6.464 1.00 0.00 O ATOM 1946 CB ALA A 126 9.648 -7.597 5.432 1.00 0.00 C ATOM 0 H ALA A 126 10.379 -7.242 3.099 1.00 0.00 H new ATOM 0 HA ALA A 126 11.326 -6.313 5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.591 -7.828 6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.968 -6.777 5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.365 -8.477 4.854 1.00 0.00 H new ATOM 1952 N SER A 127 12.225 -9.228 4.492 1.00 0.00 N ATOM 1953 CA SER A 127 13.156 -10.328 4.677 1.00 0.00 C ATOM 1954 C SER A 127 14.593 -9.804 4.671 1.00 0.00 C ATOM 1955 O SER A 127 15.365 -10.088 5.586 1.00 0.00 O ATOM 1956 CB SER A 127 12.975 -11.392 3.592 1.00 0.00 C ATOM 1957 OG SER A 127 13.225 -12.705 4.085 1.00 0.00 O ATOM 0 H SER A 127 11.699 -9.256 3.618 1.00 0.00 H new ATOM 0 HA SER A 127 12.949 -10.792 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 127 11.960 -11.340 3.199 1.00 0.00 H new ATOM 0 HB3 SER A 127 13.650 -11.182 2.762 1.00 0.00 H new ATOM 0 HG SER A 127 13.097 -13.355 3.363 1.00 0.00 H new