USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=19 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 180:sc= 0.0243 USER MOD Set 1.2: A 38 SER OG : rot 75:sc= 0.389! USER MOD Single : A 16 ASN : amide:sc= -0.296 K(o=-0.3,f=-2.8!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -45:sc= -0.546 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0339 K(o=-0.034,f=-0.57) USER MOD Single : A 50 MET CE :methyl -112:sc= -1.79 (180deg=-5.83!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 1:sc= 0.488 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 160:sc= -1.32 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0514) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -127:sc= 0.381 USER MOD Single : A 103 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.496 USER MOD Single : A 107 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.023) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.467 USER MOD Single : A 123 LYS NZ :NH3+ -170:sc= -0.0452 (180deg=-0.176) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 13 3.388 1.641 13.578 1.00 0.00 N ATOM 161 CA LEU A 13 3.631 0.543 12.658 1.00 0.00 C ATOM 162 C LEU A 13 5.123 0.483 12.325 1.00 0.00 C ATOM 163 O LEU A 13 5.783 -0.521 12.592 1.00 0.00 O ATOM 164 CB LEU A 13 2.731 0.667 11.426 1.00 0.00 C ATOM 165 CG LEU A 13 1.248 0.364 11.647 1.00 0.00 C ATOM 166 CD1 LEU A 13 0.372 1.218 10.728 1.00 0.00 C ATOM 167 CD2 LEU A 13 0.963 -1.130 11.485 1.00 0.00 C ATOM 0 HA LEU A 13 3.369 -0.408 13.122 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.820 1.681 11.036 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.108 -0.006 10.656 1.00 0.00 H new ATOM 0 HG LEU A 13 0.994 0.630 12.673 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.678 0.983 10.905 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.548 2.274 10.935 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.621 1.006 9.688 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.098 -1.318 11.647 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.238 -1.446 10.478 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.547 -1.693 12.214 1.00 0.00 H new ATOM 179 N PHE A 14 5.613 1.571 11.747 1.00 0.00 N ATOM 180 CA PHE A 14 7.015 1.654 11.376 1.00 0.00 C ATOM 181 C PHE A 14 7.881 2.017 12.583 1.00 0.00 C ATOM 182 O PHE A 14 8.594 3.020 12.561 1.00 0.00 O ATOM 183 CB PHE A 14 7.134 2.761 10.326 1.00 0.00 C ATOM 184 CG PHE A 14 6.017 2.750 9.280 1.00 0.00 C ATOM 185 CD1 PHE A 14 5.960 1.753 8.357 1.00 0.00 C ATOM 186 CD2 PHE A 14 5.081 3.737 9.274 1.00 0.00 C ATOM 187 CE1 PHE A 14 4.924 1.743 7.386 1.00 0.00 C ATOM 188 CE2 PHE A 14 4.045 3.726 8.304 1.00 0.00 C ATOM 189 CZ PHE A 14 3.988 2.730 7.380 1.00 0.00 C ATOM 0 H PHE A 14 5.064 2.402 11.527 1.00 0.00 H new ATOM 0 HA PHE A 14 7.357 0.692 10.994 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.136 3.727 10.830 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.094 2.665 9.819 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.703 0.969 8.362 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.126 4.529 10.007 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.879 0.952 6.652 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.301 4.509 8.300 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.200 2.723 6.642 1.00 0.00 H new ATOM 199 N GLU A 15 7.792 1.182 13.608 1.00 0.00 N ATOM 200 CA GLU A 15 8.559 1.403 14.822 1.00 0.00 C ATOM 201 C GLU A 15 9.885 0.641 14.758 1.00 0.00 C ATOM 202 O GLU A 15 10.941 1.200 15.049 1.00 0.00 O ATOM 203 CB GLU A 15 7.755 1.000 16.060 1.00 0.00 C ATOM 204 CG GLU A 15 7.119 2.224 16.723 1.00 0.00 C ATOM 205 CD GLU A 15 7.520 2.319 18.196 1.00 0.00 C ATOM 206 OE1 GLU A 15 8.709 2.057 18.479 1.00 0.00 O ATOM 207 OE2 GLU A 15 6.627 2.651 19.006 1.00 0.00 O ATOM 0 H GLU A 15 7.200 0.351 13.623 1.00 0.00 H new ATOM 0 HA GLU A 15 8.777 2.468 14.902 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.978 0.290 15.778 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.406 0.494 16.772 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.429 3.128 16.199 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.034 2.164 16.641 1.00 0.00 H new ATOM 214 N ASN A 16 9.786 -0.624 14.375 1.00 0.00 N ATOM 215 CA ASN A 16 10.964 -1.468 14.270 1.00 0.00 C ATOM 216 C ASN A 16 11.632 -1.236 12.913 1.00 0.00 C ATOM 217 O ASN A 16 12.853 -1.319 12.796 1.00 0.00 O ATOM 218 CB ASN A 16 10.591 -2.948 14.366 1.00 0.00 C ATOM 219 CG ASN A 16 9.608 -3.340 13.261 1.00 0.00 C ATOM 220 OD1 ASN A 16 8.469 -2.904 13.224 1.00 0.00 O ATOM 221 ND2 ASN A 16 10.111 -4.184 12.365 1.00 0.00 N ATOM 0 H ASN A 16 8.908 -1.084 14.134 1.00 0.00 H new ATOM 0 HA ASN A 16 11.637 -1.212 15.088 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.491 -3.559 14.290 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.148 -3.152 15.341 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.535 -4.505 11.587 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.073 -4.510 12.455 1.00 0.00 H new ATOM 228 N MET A 17 10.801 -0.950 11.921 1.00 0.00 N ATOM 229 CA MET A 17 11.295 -0.706 10.577 1.00 0.00 C ATOM 230 C MET A 17 12.411 0.342 10.585 1.00 0.00 C ATOM 231 O MET A 17 12.455 1.199 11.466 1.00 0.00 O ATOM 232 CB MET A 17 10.147 -0.222 9.690 1.00 0.00 C ATOM 233 CG MET A 17 10.017 -1.091 8.437 1.00 0.00 C ATOM 234 SD MET A 17 8.571 -0.610 7.507 1.00 0.00 S ATOM 235 CE MET A 17 7.478 -1.962 7.913 1.00 0.00 C ATOM 0 H MET A 17 9.788 -0.882 12.022 1.00 0.00 H new ATOM 0 HA MET A 17 11.700 -1.639 10.185 1.00 0.00 H new ATOM 0 HB2 MET A 17 9.213 -0.246 10.252 1.00 0.00 H new ATOM 0 HB3 MET A 17 10.318 0.815 9.401 1.00 0.00 H new ATOM 0 HG2 MET A 17 10.908 -0.987 7.818 1.00 0.00 H new ATOM 0 HG3 MET A 17 9.945 -2.141 8.719 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.521 -1.819 7.411 1.00 0.00 H new ATOM 0 HE2 MET A 17 7.923 -2.901 7.585 1.00 0.00 H new ATOM 0 HE3 MET A 17 7.321 -1.992 8.991 1.00 0.00 H new ATOM 245 N ASP A 18 13.284 0.238 9.594 1.00 0.00 N ATOM 246 CA ASP A 18 14.396 1.165 9.476 1.00 0.00 C ATOM 247 C ASP A 18 14.168 2.076 8.268 1.00 0.00 C ATOM 248 O ASP A 18 13.416 1.730 7.358 1.00 0.00 O ATOM 249 CB ASP A 18 15.715 0.420 9.264 1.00 0.00 C ATOM 250 CG ASP A 18 16.765 0.641 10.354 1.00 0.00 C ATOM 251 OD1 ASP A 18 16.350 0.758 11.527 1.00 0.00 O ATOM 252 OD2 ASP A 18 17.960 0.688 9.990 1.00 0.00 O ATOM 0 H ASP A 18 13.244 -0.474 8.865 1.00 0.00 H new ATOM 0 HA ASP A 18 14.453 1.742 10.399 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.505 -0.647 9.194 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.137 0.725 8.307 1.00 0.00 H new ATOM 257 N GLU A 19 14.832 3.223 8.298 1.00 0.00 N ATOM 258 CA GLU A 19 14.711 4.186 7.217 1.00 0.00 C ATOM 259 C GLU A 19 14.880 3.490 5.865 1.00 0.00 C ATOM 260 O GLU A 19 14.015 3.595 4.997 1.00 0.00 O ATOM 261 CB GLU A 19 15.723 5.322 7.380 1.00 0.00 C ATOM 262 CG GLU A 19 15.429 6.143 8.636 1.00 0.00 C ATOM 263 CD GLU A 19 15.460 7.642 8.332 1.00 0.00 C ATOM 264 OE1 GLU A 19 14.633 8.070 7.497 1.00 0.00 O ATOM 265 OE2 GLU A 19 16.311 8.327 8.940 1.00 0.00 O ATOM 0 H GLU A 19 15.455 3.506 9.054 1.00 0.00 H new ATOM 0 HA GLU A 19 13.714 4.624 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.731 4.910 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.693 5.969 6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.452 5.869 9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.163 5.910 9.407 1.00 0.00 H new ATOM 272 N ARG A 20 16.000 2.795 5.729 1.00 0.00 N ATOM 273 CA ARG A 20 16.293 2.082 4.497 1.00 0.00 C ATOM 274 C ARG A 20 15.094 1.229 4.080 1.00 0.00 C ATOM 275 O ARG A 20 14.823 1.073 2.890 1.00 0.00 O ATOM 276 CB ARG A 20 17.520 1.182 4.661 1.00 0.00 C ATOM 277 CG ARG A 20 18.773 2.011 4.949 1.00 0.00 C ATOM 278 CD ARG A 20 19.415 2.505 3.651 1.00 0.00 C ATOM 279 NE ARG A 20 20.875 2.267 3.686 1.00 0.00 N ATOM 280 CZ ARG A 20 21.700 2.509 2.658 1.00 0.00 C ATOM 281 NH1 ARG A 20 21.214 2.996 1.509 1.00 0.00 N ATOM 282 NH2 ARG A 20 23.012 2.263 2.780 1.00 0.00 N ATOM 0 H ARG A 20 16.715 2.710 6.451 1.00 0.00 H new ATOM 0 HA ARG A 20 16.501 2.823 3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.352 0.476 5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.668 0.595 3.755 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.513 2.863 5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.490 1.410 5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.974 1.989 2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.215 3.568 3.518 1.00 0.00 H new ATOM 0 HE ARG A 20 21.279 1.896 4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 20 20.216 3.183 1.416 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.842 3.180 0.727 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.382 1.892 3.655 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.640 2.447 1.998 1.00 0.00 H new ATOM 296 N LEU A 21 14.409 0.698 5.082 1.00 0.00 N ATOM 297 CA LEU A 21 13.245 -0.136 4.833 1.00 0.00 C ATOM 298 C LEU A 21 12.073 0.747 4.403 1.00 0.00 C ATOM 299 O LEU A 21 11.206 0.309 3.647 1.00 0.00 O ATOM 300 CB LEU A 21 12.942 -1.010 6.053 1.00 0.00 C ATOM 301 CG LEU A 21 11.987 -2.181 5.817 1.00 0.00 C ATOM 302 CD1 LEU A 21 12.409 -2.995 4.592 1.00 0.00 C ATOM 303 CD2 LEU A 21 11.867 -3.051 7.070 1.00 0.00 C ATOM 0 H LEU A 21 14.637 0.829 6.067 1.00 0.00 H new ATOM 0 HA LEU A 21 13.440 -0.828 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.883 -1.406 6.435 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.522 -0.376 6.834 1.00 0.00 H new ATOM 0 HG LEU A 21 10.996 -1.777 5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.713 -3.821 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.401 -2.355 3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.414 -3.389 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.182 -3.876 6.876 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.848 -3.447 7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.485 -2.450 7.895 1.00 0.00 H new ATOM 315 N LEU A 22 12.083 1.974 4.902 1.00 0.00 N ATOM 316 CA LEU A 22 11.031 2.922 4.578 1.00 0.00 C ATOM 317 C LEU A 22 11.144 3.321 3.105 1.00 0.00 C ATOM 318 O LEU A 22 10.224 3.089 2.323 1.00 0.00 O ATOM 319 CB LEU A 22 11.066 4.111 5.541 1.00 0.00 C ATOM 320 CG LEU A 22 10.257 3.954 6.830 1.00 0.00 C ATOM 321 CD1 LEU A 22 8.755 3.945 6.538 1.00 0.00 C ATOM 322 CD2 LEU A 22 10.697 2.710 7.606 1.00 0.00 C ATOM 0 H LEU A 22 12.803 2.334 5.528 1.00 0.00 H new ATOM 0 HA LEU A 22 10.051 2.462 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.104 4.306 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.702 4.992 5.012 1.00 0.00 H new ATOM 0 HG LEU A 22 10.456 4.817 7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.204 3.832 7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.472 4.883 6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.518 3.114 5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.106 2.622 8.518 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.546 1.824 6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.752 2.797 7.865 1.00 0.00 H new ATOM 334 N ASP A 23 12.281 3.913 2.772 1.00 0.00 N ATOM 335 CA ASP A 23 12.527 4.346 1.407 1.00 0.00 C ATOM 336 C ASP A 23 12.194 3.203 0.446 1.00 0.00 C ATOM 337 O ASP A 23 11.468 3.397 -0.527 1.00 0.00 O ATOM 338 CB ASP A 23 13.997 4.721 1.204 1.00 0.00 C ATOM 339 CG ASP A 23 14.303 5.453 -0.104 1.00 0.00 C ATOM 340 OD1 ASP A 23 13.666 6.505 -0.328 1.00 0.00 O ATOM 341 OD2 ASP A 23 15.167 4.944 -0.850 1.00 0.00 O ATOM 0 H ASP A 23 13.042 4.103 3.424 1.00 0.00 H new ATOM 0 HA ASP A 23 11.902 5.218 1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.315 5.348 2.037 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.597 3.812 1.243 1.00 0.00 H new ATOM 346 N ALA A 24 12.741 2.036 0.753 1.00 0.00 N ATOM 347 CA ALA A 24 12.511 0.861 -0.071 1.00 0.00 C ATOM 348 C ALA A 24 11.005 0.654 -0.247 1.00 0.00 C ATOM 349 O ALA A 24 10.519 0.531 -1.370 1.00 0.00 O ATOM 350 CB ALA A 24 13.196 -0.350 0.565 1.00 0.00 C ATOM 0 H ALA A 24 13.343 1.879 1.561 1.00 0.00 H new ATOM 0 HA ALA A 24 12.943 0.996 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.024 -1.231 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.267 -0.164 0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.786 -0.519 1.561 1.00 0.00 H new ATOM 356 N ILE A 25 10.309 0.622 0.880 1.00 0.00 N ATOM 357 CA ILE A 25 8.869 0.432 0.865 1.00 0.00 C ATOM 358 C ILE A 25 8.213 1.596 0.119 1.00 0.00 C ATOM 359 O ILE A 25 7.226 1.406 -0.591 1.00 0.00 O ATOM 360 CB ILE A 25 8.339 0.236 2.287 1.00 0.00 C ATOM 361 CG1 ILE A 25 8.753 -1.128 2.843 1.00 0.00 C ATOM 362 CG2 ILE A 25 6.823 0.441 2.340 1.00 0.00 C ATOM 363 CD1 ILE A 25 8.462 -1.219 4.343 1.00 0.00 C ATOM 0 H ILE A 25 10.716 0.725 1.810 1.00 0.00 H new ATOM 0 HA ILE A 25 8.611 -0.479 0.325 1.00 0.00 H new ATOM 0 HB ILE A 25 8.789 0.995 2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.217 -1.918 2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.816 -1.290 2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.472 0.296 3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.581 1.452 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.335 -0.279 1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.765 -2.198 4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.018 -0.443 4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.395 -1.080 4.516 1.00 0.00 H new ATOM 375 N CYS A 26 8.788 2.775 0.305 1.00 0.00 N ATOM 376 CA CYS A 26 8.272 3.969 -0.342 1.00 0.00 C ATOM 377 C CYS A 26 8.439 3.807 -1.854 1.00 0.00 C ATOM 378 O CYS A 26 7.497 4.031 -2.614 1.00 0.00 O ATOM 379 CB CYS A 26 8.958 5.234 0.176 1.00 0.00 C ATOM 380 SG CYS A 26 8.253 5.711 1.796 1.00 0.00 S ATOM 0 H CYS A 26 9.606 2.929 0.894 1.00 0.00 H new ATOM 0 HA CYS A 26 7.214 4.086 -0.105 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.030 5.062 0.273 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.829 6.046 -0.539 1.00 0.00 H new ATOM 0 HG CYS A 26 8.845 6.785 2.227 1.00 0.00 H new ATOM 386 N GLU A 27 9.644 3.420 -2.246 1.00 0.00 N ATOM 387 CA GLU A 27 9.946 3.225 -3.654 1.00 0.00 C ATOM 388 C GLU A 27 8.952 2.245 -4.280 1.00 0.00 C ATOM 389 O GLU A 27 8.766 2.236 -5.496 1.00 0.00 O ATOM 390 CB GLU A 27 11.385 2.743 -3.844 1.00 0.00 C ATOM 391 CG GLU A 27 12.382 3.876 -3.590 1.00 0.00 C ATOM 392 CD GLU A 27 12.523 4.768 -4.825 1.00 0.00 C ATOM 393 OE1 GLU A 27 11.483 5.004 -5.477 1.00 0.00 O ATOM 394 OE2 GLU A 27 13.668 5.194 -5.089 1.00 0.00 O ATOM 0 H GLU A 27 10.423 3.236 -1.613 1.00 0.00 H new ATOM 0 HA GLU A 27 9.849 4.184 -4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.588 1.916 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.513 2.361 -4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.050 4.474 -2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.353 3.458 -3.326 1.00 0.00 H new ATOM 401 N ARG A 28 8.339 1.444 -3.421 1.00 0.00 N ATOM 402 CA ARG A 28 7.369 0.462 -3.874 1.00 0.00 C ATOM 403 C ARG A 28 6.029 1.139 -4.174 1.00 0.00 C ATOM 404 O ARG A 28 5.303 0.715 -5.071 1.00 0.00 O ATOM 405 CB ARG A 28 7.157 -0.629 -2.824 1.00 0.00 C ATOM 406 CG ARG A 28 7.767 -1.956 -3.281 1.00 0.00 C ATOM 407 CD ARG A 28 9.019 -2.293 -2.470 1.00 0.00 C ATOM 408 NE ARG A 28 9.903 -3.187 -3.250 1.00 0.00 N ATOM 409 CZ ARG A 28 10.718 -2.771 -4.229 1.00 0.00 C ATOM 410 NH1 ARG A 28 10.767 -1.472 -4.553 1.00 0.00 N ATOM 411 NH2 ARG A 28 11.484 -3.655 -4.884 1.00 0.00 N ATOM 0 H ARG A 28 8.495 1.455 -2.413 1.00 0.00 H new ATOM 0 HA ARG A 28 7.761 0.004 -4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.608 -0.323 -1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.091 -0.759 -2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.033 -2.754 -3.172 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.020 -1.898 -4.340 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.551 -1.378 -2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.737 -2.774 -1.533 1.00 0.00 H new ATOM 0 HE ARG A 28 9.891 -4.183 -3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.184 -0.800 -4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.387 -1.155 -5.298 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.446 -4.644 -4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.104 -3.339 -5.629 1.00 0.00 H new ATOM 425 N LEU A 29 5.743 2.179 -3.404 1.00 0.00 N ATOM 426 CA LEU A 29 4.504 2.918 -3.576 1.00 0.00 C ATOM 427 C LEU A 29 4.227 3.102 -5.069 1.00 0.00 C ATOM 428 O LEU A 29 5.089 3.571 -5.811 1.00 0.00 O ATOM 429 CB LEU A 29 4.551 4.232 -2.793 1.00 0.00 C ATOM 430 CG LEU A 29 4.837 4.111 -1.295 1.00 0.00 C ATOM 431 CD1 LEU A 29 5.362 5.431 -0.728 1.00 0.00 C ATOM 432 CD2 LEU A 29 3.604 3.612 -0.540 1.00 0.00 C ATOM 0 H LEU A 29 6.348 2.527 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 29 3.666 2.357 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.315 4.870 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.596 4.742 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 29 5.622 3.367 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.557 5.317 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.285 5.705 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.618 6.213 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.834 3.535 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.781 4.313 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.316 2.632 -0.921 1.00 0.00 H new ATOM 444 N LYS A 30 3.021 2.722 -5.466 1.00 0.00 N ATOM 445 CA LYS A 30 2.620 2.839 -6.858 1.00 0.00 C ATOM 446 C LYS A 30 1.520 3.895 -6.980 1.00 0.00 C ATOM 447 O LYS A 30 0.773 4.132 -6.031 1.00 0.00 O ATOM 448 CB LYS A 30 2.224 1.471 -7.418 1.00 0.00 C ATOM 449 CG LYS A 30 3.399 0.817 -8.149 1.00 0.00 C ATOM 450 CD LYS A 30 2.947 0.209 -9.478 1.00 0.00 C ATOM 451 CE LYS A 30 4.093 0.194 -10.492 1.00 0.00 C ATOM 452 NZ LYS A 30 3.840 -0.814 -11.545 1.00 0.00 N ATOM 0 H LYS A 30 2.309 2.333 -4.848 1.00 0.00 H new ATOM 0 HA LYS A 30 3.457 3.178 -7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.891 0.824 -6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.383 1.584 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.177 1.558 -8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.837 0.042 -7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.589 -0.807 -9.314 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.110 0.781 -9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.200 1.181 -10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.032 -0.029 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.627 -0.811 -12.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.760 -1.756 -11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.955 -0.584 -12.040 1.00 0.00 H new ATOM 466 N PRO A 31 1.453 4.518 -8.187 1.00 0.00 N ATOM 467 CA PRO A 31 0.456 5.543 -8.446 1.00 0.00 C ATOM 468 C PRO A 31 -0.928 4.924 -8.649 1.00 0.00 C ATOM 469 O PRO A 31 -1.179 4.276 -9.664 1.00 0.00 O ATOM 470 CB PRO A 31 0.962 6.283 -9.673 1.00 0.00 C ATOM 471 CG PRO A 31 1.974 5.358 -10.330 1.00 0.00 C ATOM 472 CD PRO A 31 2.320 4.263 -9.333 1.00 0.00 C ATOM 0 HA PRO A 31 0.330 6.228 -7.608 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.144 6.514 -10.355 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.422 7.231 -9.395 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.562 4.927 -11.242 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.869 5.912 -10.615 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.140 3.274 -9.753 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.372 4.303 -9.050 1.00 0.00 H new ATOM 480 N CYS A 32 -1.790 5.145 -7.668 1.00 0.00 N ATOM 481 CA CYS A 32 -3.142 4.616 -7.727 1.00 0.00 C ATOM 482 C CYS A 32 -4.038 5.490 -6.846 1.00 0.00 C ATOM 483 O CYS A 32 -3.559 6.141 -5.919 1.00 0.00 O ATOM 484 CB CYS A 32 -3.193 3.145 -7.310 1.00 0.00 C ATOM 485 SG CYS A 32 -2.027 2.843 -5.933 1.00 0.00 S ATOM 0 H CYS A 32 -1.579 5.683 -6.828 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.503 4.647 -8.755 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.205 2.880 -7.005 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.939 2.509 -8.158 1.00 0.00 H new ATOM 0 HG CYS A 32 -0.889 3.415 -6.194 1.00 0.00 H new ATOM 491 N LEU A 33 -5.324 5.476 -7.167 1.00 0.00 N ATOM 492 CA LEU A 33 -6.291 6.259 -6.417 1.00 0.00 C ATOM 493 C LEU A 33 -7.586 5.457 -6.270 1.00 0.00 C ATOM 494 O LEU A 33 -7.886 4.600 -7.099 1.00 0.00 O ATOM 495 CB LEU A 33 -6.487 7.631 -7.064 1.00 0.00 C ATOM 496 CG LEU A 33 -7.313 8.639 -6.262 1.00 0.00 C ATOM 497 CD1 LEU A 33 -6.496 9.896 -5.954 1.00 0.00 C ATOM 498 CD2 LEU A 33 -8.623 8.969 -6.980 1.00 0.00 C ATOM 0 H LEU A 33 -5.718 4.935 -7.936 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.922 6.457 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.505 8.065 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.965 7.489 -8.033 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.575 8.183 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.106 10.596 -5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.616 9.624 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.183 10.364 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.191 9.687 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.404 9.397 -7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.209 8.058 -7.105 1.00 0.00 H new ATOM 510 N PHE A 34 -8.318 5.765 -5.209 1.00 0.00 N ATOM 511 CA PHE A 34 -9.573 5.084 -4.943 1.00 0.00 C ATOM 512 C PHE A 34 -10.766 5.982 -5.279 1.00 0.00 C ATOM 513 O PHE A 34 -10.747 7.178 -4.992 1.00 0.00 O ATOM 514 CB PHE A 34 -9.598 4.760 -3.448 1.00 0.00 C ATOM 515 CG PHE A 34 -8.316 4.104 -2.932 1.00 0.00 C ATOM 516 CD1 PHE A 34 -7.897 2.922 -3.459 1.00 0.00 C ATOM 517 CD2 PHE A 34 -7.596 4.702 -1.946 1.00 0.00 C ATOM 518 CE1 PHE A 34 -6.707 2.313 -2.980 1.00 0.00 C ATOM 519 CE2 PHE A 34 -6.406 4.093 -1.467 1.00 0.00 C ATOM 520 CZ PHE A 34 -5.987 2.911 -1.994 1.00 0.00 C ATOM 0 H PHE A 34 -8.065 6.477 -4.524 1.00 0.00 H new ATOM 0 HA PHE A 34 -9.646 4.185 -5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.773 5.680 -2.890 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.440 4.098 -3.244 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.469 2.447 -4.242 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.929 5.640 -1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.374 1.375 -3.399 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.834 4.568 -0.684 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.082 2.448 -1.629 1.00 0.00 H new ATOM 530 N THR A 35 -11.775 5.370 -5.881 1.00 0.00 N ATOM 531 CA THR A 35 -12.974 6.099 -6.259 1.00 0.00 C ATOM 532 C THR A 35 -14.187 5.563 -5.495 1.00 0.00 C ATOM 533 O THR A 35 -14.041 4.749 -4.584 1.00 0.00 O ATOM 534 CB THR A 35 -13.124 6.008 -7.779 1.00 0.00 C ATOM 535 OG1 THR A 35 -12.644 4.705 -8.097 1.00 0.00 O ATOM 536 CG2 THR A 35 -12.169 6.948 -8.518 1.00 0.00 C ATOM 0 H THR A 35 -11.787 4.378 -6.116 1.00 0.00 H new ATOM 0 HA THR A 35 -12.898 7.152 -5.988 1.00 0.00 H new ATOM 0 HB THR A 35 -14.152 6.242 -8.058 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.707 4.560 -9.064 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.316 6.844 -9.593 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.370 7.978 -8.222 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.140 6.692 -8.266 1.00 0.00 H new ATOM 544 N GLU A 36 -15.356 6.040 -5.896 1.00 0.00 N ATOM 545 CA GLU A 36 -16.593 5.619 -5.261 1.00 0.00 C ATOM 546 C GLU A 36 -16.804 4.116 -5.454 1.00 0.00 C ATOM 547 O GLU A 36 -16.599 3.592 -6.548 1.00 0.00 O ATOM 548 CB GLU A 36 -17.784 6.413 -5.800 1.00 0.00 C ATOM 549 CG GLU A 36 -18.305 5.803 -7.103 1.00 0.00 C ATOM 550 CD GLU A 36 -19.345 6.715 -7.758 1.00 0.00 C ATOM 551 OE1 GLU A 36 -20.473 6.766 -7.221 1.00 0.00 O ATOM 552 OE2 GLU A 36 -18.989 7.339 -8.781 1.00 0.00 O ATOM 0 H GLU A 36 -15.473 6.714 -6.653 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.517 5.821 -4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.581 6.428 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.488 7.448 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.475 5.640 -7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.747 4.828 -6.901 1.00 0.00 H new ATOM 559 N LYS A 37 -17.210 3.464 -4.374 1.00 0.00 N ATOM 560 CA LYS A 37 -17.451 2.032 -4.411 1.00 0.00 C ATOM 561 C LYS A 37 -16.114 1.298 -4.535 1.00 0.00 C ATOM 562 O LYS A 37 -16.031 0.261 -5.192 1.00 0.00 O ATOM 563 CB LYS A 37 -18.449 1.684 -5.517 1.00 0.00 C ATOM 564 CG LYS A 37 -19.758 2.455 -5.336 1.00 0.00 C ATOM 565 CD LYS A 37 -20.937 1.680 -5.928 1.00 0.00 C ATOM 566 CE LYS A 37 -20.922 1.741 -7.457 1.00 0.00 C ATOM 567 NZ LYS A 37 -22.240 1.351 -8.004 1.00 0.00 N ATOM 0 H LYS A 37 -17.378 3.902 -3.468 1.00 0.00 H new ATOM 0 HA LYS A 37 -17.913 1.699 -3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.016 1.918 -6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.649 0.613 -5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.933 2.637 -4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.680 3.430 -5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.894 0.641 -5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -21.873 2.093 -5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.670 2.750 -7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.150 1.077 -7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.212 1.398 -9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -22.466 0.380 -7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -22.970 2.000 -7.647 1.00 0.00 H new ATOM 581 N SER A 38 -15.102 1.864 -3.895 1.00 0.00 N ATOM 582 CA SER A 38 -13.774 1.277 -3.926 1.00 0.00 C ATOM 583 C SER A 38 -13.463 0.614 -2.582 1.00 0.00 C ATOM 584 O SER A 38 -13.369 1.291 -1.560 1.00 0.00 O ATOM 585 CB SER A 38 -12.714 2.329 -4.257 1.00 0.00 C ATOM 586 OG SER A 38 -12.804 2.771 -5.608 1.00 0.00 O ATOM 0 H SER A 38 -15.175 2.724 -3.351 1.00 0.00 H new ATOM 0 HA SER A 38 -13.753 0.520 -4.710 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.829 3.182 -3.588 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.722 1.914 -4.077 1.00 0.00 H new ATOM 0 HG SER A 38 -13.569 3.375 -5.704 1.00 0.00 H new ATOM 592 N TYR A 39 -13.313 -0.701 -2.628 1.00 0.00 N ATOM 593 CA TYR A 39 -13.015 -1.463 -1.427 1.00 0.00 C ATOM 594 C TYR A 39 -11.505 -1.619 -1.237 1.00 0.00 C ATOM 595 O TYR A 39 -10.822 -2.179 -2.094 1.00 0.00 O ATOM 596 CB TYR A 39 -13.636 -2.845 -1.639 1.00 0.00 C ATOM 597 CG TYR A 39 -15.110 -2.933 -1.240 1.00 0.00 C ATOM 598 CD1 TYR A 39 -15.499 -2.598 0.041 1.00 0.00 C ATOM 599 CD2 TYR A 39 -16.051 -3.347 -2.161 1.00 0.00 C ATOM 600 CE1 TYR A 39 -16.887 -2.681 0.417 1.00 0.00 C ATOM 601 CE2 TYR A 39 -17.439 -3.430 -1.785 1.00 0.00 C ATOM 602 CZ TYR A 39 -17.788 -3.092 -0.515 1.00 0.00 C ATOM 603 OH TYR A 39 -19.099 -3.170 -0.160 1.00 0.00 O ATOM 0 H TYR A 39 -13.392 -1.259 -3.478 1.00 0.00 H new ATOM 0 HA TYR A 39 -13.409 -0.958 -0.545 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -13.538 -3.119 -2.689 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -13.070 -3.578 -1.064 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -14.763 -2.274 0.762 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -15.747 -3.609 -3.164 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -17.205 -2.423 1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -18.185 -3.753 -2.495 1.00 0.00 H new ATOM 0 HH TYR A 39 -19.628 -3.477 -0.926 1.00 0.00 H new ATOM 613 N LEU A 40 -11.027 -1.113 -0.109 1.00 0.00 N ATOM 614 CA LEU A 40 -9.610 -1.189 0.204 1.00 0.00 C ATOM 615 C LEU A 40 -9.311 -2.533 0.871 1.00 0.00 C ATOM 616 O LEU A 40 -8.485 -3.303 0.383 1.00 0.00 O ATOM 617 CB LEU A 40 -9.179 0.020 1.036 1.00 0.00 C ATOM 618 CG LEU A 40 -9.047 1.343 0.279 1.00 0.00 C ATOM 619 CD1 LEU A 40 -10.382 1.751 -0.348 1.00 0.00 C ATOM 620 CD2 LEU A 40 -8.480 2.438 1.184 1.00 0.00 C ATOM 0 H LEU A 40 -11.596 -0.649 0.599 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.016 -1.146 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.899 0.156 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.219 -0.207 1.501 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.338 1.201 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.261 2.695 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.707 0.980 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.131 1.870 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.396 3.368 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.145 2.587 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.494 2.140 1.542 1.00 0.00 H new ATOM 632 N VAL A 41 -10.000 -2.775 1.977 1.00 0.00 N ATOM 633 CA VAL A 41 -9.819 -4.012 2.716 1.00 0.00 C ATOM 634 C VAL A 41 -11.186 -4.639 2.997 1.00 0.00 C ATOM 635 O VAL A 41 -12.182 -3.930 3.129 1.00 0.00 O ATOM 636 CB VAL A 41 -9.009 -3.749 3.988 1.00 0.00 C ATOM 637 CG1 VAL A 41 -7.699 -3.028 3.664 1.00 0.00 C ATOM 638 CG2 VAL A 41 -9.832 -2.958 5.007 1.00 0.00 C ATOM 0 H VAL A 41 -10.685 -2.135 2.379 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.248 -4.729 2.126 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.760 -4.713 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.143 -2.853 4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.102 -3.643 2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.918 -2.073 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.234 -2.784 5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.124 -2.001 4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.725 -3.524 5.272 1.00 0.00 H new ATOM 648 N ARG A 42 -11.190 -5.961 3.081 1.00 0.00 N ATOM 649 CA ARG A 42 -12.418 -6.691 3.343 1.00 0.00 C ATOM 650 C ARG A 42 -12.212 -7.681 4.491 1.00 0.00 C ATOM 651 O ARG A 42 -11.269 -8.470 4.473 1.00 0.00 O ATOM 652 CB ARG A 42 -12.884 -7.452 2.100 1.00 0.00 C ATOM 653 CG ARG A 42 -13.954 -6.662 1.343 1.00 0.00 C ATOM 654 CD ARG A 42 -13.328 -5.519 0.542 1.00 0.00 C ATOM 655 NE ARG A 42 -13.322 -5.855 -0.899 1.00 0.00 N ATOM 656 CZ ARG A 42 -12.296 -6.444 -1.529 1.00 0.00 C ATOM 657 NH1 ARG A 42 -11.188 -6.765 -0.849 1.00 0.00 N ATOM 658 NH2 ARG A 42 -12.379 -6.711 -2.840 1.00 0.00 N ATOM 0 H ARG A 42 -10.361 -6.546 2.972 1.00 0.00 H new ATOM 0 HA ARG A 42 -13.183 -5.964 3.617 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.034 -7.640 1.444 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.283 -8.424 2.392 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.495 -7.328 0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.682 -6.261 2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.888 -4.599 0.707 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.310 -5.338 0.886 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.151 -5.624 -1.447 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.125 -6.561 0.148 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.407 -7.213 -1.328 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.223 -6.466 -3.358 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.598 -7.159 -3.320 1.00 0.00 H new ATOM 672 N GLU A 43 -13.111 -7.608 5.462 1.00 0.00 N ATOM 673 CA GLU A 43 -13.039 -8.488 6.616 1.00 0.00 C ATOM 674 C GLU A 43 -13.392 -9.921 6.213 1.00 0.00 C ATOM 675 O GLU A 43 -14.451 -10.165 5.637 1.00 0.00 O ATOM 676 CB GLU A 43 -13.952 -7.994 7.740 1.00 0.00 C ATOM 677 CG GLU A 43 -13.739 -8.808 9.018 1.00 0.00 C ATOM 678 CD GLU A 43 -14.650 -10.037 9.044 1.00 0.00 C ATOM 679 OE1 GLU A 43 -15.865 -9.838 9.264 1.00 0.00 O ATOM 680 OE2 GLU A 43 -14.112 -11.147 8.842 1.00 0.00 O ATOM 0 H GLU A 43 -13.893 -6.953 5.473 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.016 -8.478 6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.753 -6.941 7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.993 -8.068 7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.697 -9.122 9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.940 -8.184 9.889 1.00 0.00 H new ATOM 687 N GLY A 44 -12.484 -10.832 6.532 1.00 0.00 N ATOM 688 CA GLY A 44 -12.685 -12.234 6.210 1.00 0.00 C ATOM 689 C GLY A 44 -11.927 -12.620 4.938 1.00 0.00 C ATOM 690 O GLY A 44 -11.493 -13.761 4.792 1.00 0.00 O ATOM 0 H GLY A 44 -11.607 -10.626 7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.347 -12.853 7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.749 -12.431 6.077 1.00 0.00 H new ATOM 694 N ASP A 45 -11.791 -11.646 4.051 1.00 0.00 N ATOM 695 CA ASP A 45 -11.092 -11.868 2.796 1.00 0.00 C ATOM 696 C ASP A 45 -9.599 -11.603 2.995 1.00 0.00 C ATOM 697 O ASP A 45 -9.207 -10.907 3.931 1.00 0.00 O ATOM 698 CB ASP A 45 -11.600 -10.921 1.707 1.00 0.00 C ATOM 699 CG ASP A 45 -13.115 -10.708 1.691 1.00 0.00 C ATOM 700 OD1 ASP A 45 -13.769 -11.213 2.629 1.00 0.00 O ATOM 701 OD2 ASP A 45 -13.585 -10.045 0.741 1.00 0.00 O ATOM 0 H ASP A 45 -12.153 -10.701 4.176 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.270 -12.899 2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.113 -9.954 1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.293 -11.310 0.736 1.00 0.00 H new ATOM 706 N PRO A 46 -8.784 -12.186 2.075 1.00 0.00 N ATOM 707 CA PRO A 46 -7.342 -12.019 2.140 1.00 0.00 C ATOM 708 C PRO A 46 -6.930 -10.622 1.671 1.00 0.00 C ATOM 709 O PRO A 46 -7.735 -9.896 1.090 1.00 0.00 O ATOM 710 CB PRO A 46 -6.778 -13.129 1.268 1.00 0.00 C ATOM 711 CG PRO A 46 -7.924 -13.585 0.381 1.00 0.00 C ATOM 712 CD PRO A 46 -9.212 -13.016 0.953 1.00 0.00 C ATOM 0 HA PRO A 46 -6.955 -12.094 3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.941 -12.769 0.670 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.404 -13.952 1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.775 -13.240 -0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.970 -14.673 0.346 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.750 -12.429 0.209 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.884 -13.809 1.281 1.00 0.00 H new ATOM 720 N VAL A 47 -5.676 -10.288 1.940 1.00 0.00 N ATOM 721 CA VAL A 47 -5.147 -8.992 1.552 1.00 0.00 C ATOM 722 C VAL A 47 -4.016 -9.189 0.541 1.00 0.00 C ATOM 723 O VAL A 47 -3.022 -9.849 0.837 1.00 0.00 O ATOM 724 CB VAL A 47 -4.710 -8.213 2.794 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.316 -6.779 2.432 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.804 -8.227 3.864 1.00 0.00 C ATOM 0 H VAL A 47 -5.011 -10.893 2.422 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.918 -8.395 1.064 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.831 -8.708 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.010 -6.247 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.489 -6.797 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.169 -6.270 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.467 -7.666 4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.709 -7.769 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.016 -9.256 4.154 1.00 0.00 H new ATOM 736 N ASN A 48 -4.206 -8.603 -0.632 1.00 0.00 N ATOM 737 CA ASN A 48 -3.214 -8.706 -1.689 1.00 0.00 C ATOM 738 C ASN A 48 -2.208 -7.562 -1.551 1.00 0.00 C ATOM 739 O ASN A 48 -1.004 -7.768 -1.697 1.00 0.00 O ATOM 740 CB ASN A 48 -3.866 -8.598 -3.069 1.00 0.00 C ATOM 741 CG ASN A 48 -3.161 -9.504 -4.081 1.00 0.00 C ATOM 742 OD1 ASN A 48 -1.998 -9.845 -3.942 1.00 0.00 O ATOM 743 ND2 ASN A 48 -3.928 -9.872 -5.103 1.00 0.00 N ATOM 0 H ASN A 48 -5.032 -8.055 -0.874 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.723 -9.675 -1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.918 -8.873 -3.000 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.829 -7.564 -3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.550 -10.477 -5.832 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.894 -9.550 -5.157 1.00 0.00 H new ATOM 750 N GLU A 49 -2.738 -6.380 -1.271 1.00 0.00 N ATOM 751 CA GLU A 49 -1.901 -5.203 -1.112 1.00 0.00 C ATOM 752 C GLU A 49 -2.478 -4.284 -0.033 1.00 0.00 C ATOM 753 O GLU A 49 -3.681 -4.298 0.221 1.00 0.00 O ATOM 754 CB GLU A 49 -1.743 -4.459 -2.439 1.00 0.00 C ATOM 755 CG GLU A 49 -3.099 -3.987 -2.968 1.00 0.00 C ATOM 756 CD GLU A 49 -3.941 -5.169 -3.453 1.00 0.00 C ATOM 757 OE1 GLU A 49 -3.636 -5.666 -4.558 1.00 0.00 O ATOM 758 OE2 GLU A 49 -4.869 -5.549 -2.707 1.00 0.00 O ATOM 0 H GLU A 49 -3.737 -6.212 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.910 -5.526 -0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.083 -3.602 -2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.270 -5.112 -3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.634 -3.453 -2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.949 -3.283 -3.786 1.00 0.00 H new ATOM 765 N MET A 50 -1.592 -3.506 0.572 1.00 0.00 N ATOM 766 CA MET A 50 -1.998 -2.583 1.618 1.00 0.00 C ATOM 767 C MET A 50 -2.136 -1.161 1.070 1.00 0.00 C ATOM 768 O MET A 50 -1.441 -0.785 0.127 1.00 0.00 O ATOM 769 CB MET A 50 -0.962 -2.598 2.743 1.00 0.00 C ATOM 770 CG MET A 50 -1.364 -1.646 3.872 1.00 0.00 C ATOM 771 SD MET A 50 -0.928 -2.354 5.451 1.00 0.00 S ATOM 772 CE MET A 50 -0.482 -0.872 6.342 1.00 0.00 C ATOM 0 H MET A 50 -0.595 -3.496 0.358 1.00 0.00 H new ATOM 0 HA MET A 50 -2.968 -2.901 2.001 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.860 -3.610 3.135 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.012 -2.309 2.349 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.864 -0.686 3.744 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.436 -1.455 3.833 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.589 -0.877 6.544 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.734 0.003 5.743 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.028 -0.836 7.285 1.00 0.00 H new ATOM 782 N LEU A 51 -3.037 -0.409 1.684 1.00 0.00 N ATOM 783 CA LEU A 51 -3.275 0.963 1.270 1.00 0.00 C ATOM 784 C LEU A 51 -2.966 1.904 2.436 1.00 0.00 C ATOM 785 O LEU A 51 -3.587 1.812 3.494 1.00 0.00 O ATOM 786 CB LEU A 51 -4.692 1.117 0.714 1.00 0.00 C ATOM 787 CG LEU A 51 -5.011 0.308 -0.544 1.00 0.00 C ATOM 788 CD1 LEU A 51 -3.854 0.370 -1.544 1.00 0.00 C ATOM 789 CD2 LEU A 51 -5.384 -1.133 -0.189 1.00 0.00 C ATOM 0 H LEU A 51 -3.611 -0.724 2.466 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.606 1.236 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.399 0.833 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.863 2.171 0.497 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.879 0.756 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.107 -0.213 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.676 1.406 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.954 -0.039 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.606 -1.687 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.551 -1.607 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.261 -1.133 0.458 1.00 0.00 H new ATOM 801 N PHE A 52 -2.007 2.788 2.204 1.00 0.00 N ATOM 802 CA PHE A 52 -1.608 3.745 3.222 1.00 0.00 C ATOM 803 C PHE A 52 -2.301 5.093 3.009 1.00 0.00 C ATOM 804 O PHE A 52 -1.932 5.850 2.112 1.00 0.00 O ATOM 805 CB PHE A 52 -0.096 3.936 3.089 1.00 0.00 C ATOM 806 CG PHE A 52 0.723 2.699 3.465 1.00 0.00 C ATOM 807 CD1 PHE A 52 0.891 2.367 4.773 1.00 0.00 C ATOM 808 CD2 PHE A 52 1.283 1.932 2.492 1.00 0.00 C ATOM 809 CE1 PHE A 52 1.651 1.220 5.123 1.00 0.00 C ATOM 810 CE2 PHE A 52 2.042 0.785 2.841 1.00 0.00 C ATOM 811 CZ PHE A 52 2.210 0.453 4.149 1.00 0.00 C ATOM 0 H PHE A 52 -1.494 2.862 1.325 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.886 3.375 4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.136 4.214 2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.212 4.769 3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.446 2.976 5.546 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.150 2.196 1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.785 0.957 6.162 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.486 0.176 2.068 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.788 -0.420 4.414 1.00 0.00 H new ATOM 821 N ILE A 53 -3.292 5.351 3.848 1.00 0.00 N ATOM 822 CA ILE A 53 -4.040 6.594 3.763 1.00 0.00 C ATOM 823 C ILE A 53 -3.079 7.774 3.919 1.00 0.00 C ATOM 824 O ILE A 53 -2.428 7.917 4.953 1.00 0.00 O ATOM 825 CB ILE A 53 -5.188 6.599 4.775 1.00 0.00 C ATOM 826 CG1 ILE A 53 -6.203 5.499 4.457 1.00 0.00 C ATOM 827 CG2 ILE A 53 -5.844 7.979 4.853 1.00 0.00 C ATOM 828 CD1 ILE A 53 -6.535 5.473 2.963 1.00 0.00 C ATOM 0 H ILE A 53 -3.595 4.721 4.590 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.508 6.690 2.783 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.776 6.382 5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.803 4.532 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.114 5.663 5.033 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.657 7.955 5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.103 8.717 5.161 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.240 8.249 3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.258 4.682 2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.957 6.433 2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.626 5.285 2.392 1.00 0.00 H new ATOM 840 N ILE A 54 -3.020 8.590 2.877 1.00 0.00 N ATOM 841 CA ILE A 54 -2.149 9.753 2.885 1.00 0.00 C ATOM 842 C ILE A 54 -2.959 10.988 3.286 1.00 0.00 C ATOM 843 O ILE A 54 -2.543 11.751 4.156 1.00 0.00 O ATOM 844 CB ILE A 54 -1.435 9.897 1.539 1.00 0.00 C ATOM 845 CG1 ILE A 54 -0.752 8.587 1.139 1.00 0.00 C ATOM 846 CG2 ILE A 54 -0.454 11.070 1.562 1.00 0.00 C ATOM 847 CD1 ILE A 54 0.419 8.272 2.070 1.00 0.00 C ATOM 0 H ILE A 54 -3.561 8.469 2.021 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.360 9.633 3.627 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.183 10.117 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.475 7.772 1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.395 8.658 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.040 11.150 0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.995 11.993 1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.293 10.904 2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.886 7.336 1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.152 9.077 2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.055 8.177 3.093 1.00 0.00 H new ATOM 859 N ARG A 55 -4.100 11.147 2.632 1.00 0.00 N ATOM 860 CA ARG A 55 -4.971 12.276 2.909 1.00 0.00 C ATOM 861 C ARG A 55 -6.321 12.087 2.215 1.00 0.00 C ATOM 862 O ARG A 55 -6.413 12.180 0.992 1.00 0.00 O ATOM 863 CB ARG A 55 -4.341 13.587 2.436 1.00 0.00 C ATOM 864 CG ARG A 55 -4.026 14.503 3.620 1.00 0.00 C ATOM 865 CD ARG A 55 -4.079 15.975 3.205 1.00 0.00 C ATOM 866 NE ARG A 55 -4.921 16.738 4.153 1.00 0.00 N ATOM 867 CZ ARG A 55 -4.842 18.065 4.327 1.00 0.00 C ATOM 868 NH1 ARG A 55 -3.959 18.782 3.620 1.00 0.00 N ATOM 869 NH2 ARG A 55 -5.645 18.673 5.210 1.00 0.00 N ATOM 0 H ARG A 55 -4.442 10.512 1.910 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.117 12.325 3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.426 13.376 1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.020 14.094 1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.740 14.322 4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.037 14.268 4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.072 16.392 3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.482 16.063 2.196 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.604 16.222 4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.346 18.318 2.949 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.899 19.792 3.753 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.316 18.126 5.750 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.585 19.683 5.343 1.00 0.00 H new ATOM 883 N GLY A 56 -7.336 11.827 3.026 1.00 0.00 N ATOM 884 CA GLY A 56 -8.678 11.625 2.506 1.00 0.00 C ATOM 885 C GLY A 56 -9.634 11.177 3.613 1.00 0.00 C ATOM 886 O GLY A 56 -9.389 11.434 4.791 1.00 0.00 O ATOM 0 H GLY A 56 -7.256 11.752 4.040 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.042 12.550 2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.656 10.876 1.714 1.00 0.00 H new ATOM 890 N ARG A 57 -10.703 10.514 3.195 1.00 0.00 N ATOM 891 CA ARG A 57 -11.697 10.028 4.137 1.00 0.00 C ATOM 892 C ARG A 57 -12.170 8.630 3.735 1.00 0.00 C ATOM 893 O ARG A 57 -12.004 8.221 2.587 1.00 0.00 O ATOM 894 CB ARG A 57 -12.902 10.969 4.200 1.00 0.00 C ATOM 895 CG ARG A 57 -12.692 12.060 5.252 1.00 0.00 C ATOM 896 CD ARG A 57 -13.705 11.927 6.390 1.00 0.00 C ATOM 897 NE ARG A 57 -14.528 13.153 6.481 1.00 0.00 N ATOM 898 CZ ARG A 57 -14.129 14.283 7.082 1.00 0.00 C ATOM 899 NH1 ARG A 57 -12.916 14.348 7.649 1.00 0.00 N ATOM 900 NH2 ARG A 57 -14.943 15.347 7.117 1.00 0.00 N ATOM 0 H ARG A 57 -10.902 10.302 2.217 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.230 9.988 5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.062 11.426 3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.801 10.399 4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.680 11.995 5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.788 13.041 4.787 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.345 11.061 6.219 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.185 11.757 7.333 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.457 13.138 6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.297 13.538 7.623 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.612 15.208 8.106 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.866 15.297 6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.639 16.207 7.574 1.00 0.00 H new ATOM 914 N LEU A 58 -12.750 7.935 4.703 1.00 0.00 N ATOM 915 CA LEU A 58 -13.248 6.591 4.464 1.00 0.00 C ATOM 916 C LEU A 58 -14.258 6.225 5.553 1.00 0.00 C ATOM 917 O LEU A 58 -14.413 6.955 6.532 1.00 0.00 O ATOM 918 CB LEU A 58 -12.087 5.603 4.344 1.00 0.00 C ATOM 919 CG LEU A 58 -11.321 5.624 3.020 1.00 0.00 C ATOM 920 CD1 LEU A 58 -10.077 6.510 3.121 1.00 0.00 C ATOM 921 CD2 LEU A 58 -10.978 4.205 2.562 1.00 0.00 C ATOM 0 H LEU A 58 -12.886 8.278 5.654 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.775 6.544 3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.382 5.802 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.475 4.597 4.500 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.967 6.061 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.550 6.508 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.375 7.529 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.419 6.125 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.434 4.249 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.359 3.719 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.897 3.635 2.425 1.00 0.00 H new ATOM 933 N GLU A 59 -14.919 5.096 5.347 1.00 0.00 N ATOM 934 CA GLU A 59 -15.910 4.624 6.300 1.00 0.00 C ATOM 935 C GLU A 59 -15.615 3.177 6.700 1.00 0.00 C ATOM 936 O GLU A 59 -15.395 2.325 5.841 1.00 0.00 O ATOM 937 CB GLU A 59 -17.324 4.759 5.732 1.00 0.00 C ATOM 938 CG GLU A 59 -17.661 3.583 4.814 1.00 0.00 C ATOM 939 CD GLU A 59 -19.110 3.663 4.329 1.00 0.00 C ATOM 940 OE1 GLU A 59 -19.901 4.344 5.016 1.00 0.00 O ATOM 941 OE2 GLU A 59 -19.393 3.041 3.282 1.00 0.00 O ATOM 0 H GLU A 59 -14.788 4.494 4.534 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.852 5.246 7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -18.045 4.806 6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -17.409 5.694 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.987 3.581 3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -17.503 2.645 5.346 1.00 0.00 H new ATOM 948 N SER A 60 -15.621 2.944 8.004 1.00 0.00 N ATOM 949 CA SER A 60 -15.357 1.615 8.528 1.00 0.00 C ATOM 950 C SER A 60 -16.674 0.920 8.879 1.00 0.00 C ATOM 951 O SER A 60 -17.524 1.497 9.554 1.00 0.00 O ATOM 952 CB SER A 60 -14.447 1.678 9.756 1.00 0.00 C ATOM 953 OG SER A 60 -14.952 0.898 10.836 1.00 0.00 O ATOM 0 H SER A 60 -15.805 3.653 8.713 1.00 0.00 H new ATOM 0 HA SER A 60 -14.844 1.040 7.758 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.452 1.324 9.488 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.341 2.715 10.076 1.00 0.00 H new ATOM 0 HG SER A 60 -14.342 0.963 11.600 1.00 0.00 H new ATOM 959 N VAL A 61 -16.802 -0.311 8.403 1.00 0.00 N ATOM 960 CA VAL A 61 -18.001 -1.091 8.658 1.00 0.00 C ATOM 961 C VAL A 61 -17.604 -2.520 9.032 1.00 0.00 C ATOM 962 O VAL A 61 -16.629 -3.055 8.507 1.00 0.00 O ATOM 963 CB VAL A 61 -18.934 -1.027 7.447 1.00 0.00 C ATOM 964 CG1 VAL A 61 -19.819 -2.273 7.371 1.00 0.00 C ATOM 965 CG2 VAL A 61 -19.781 0.247 7.474 1.00 0.00 C ATOM 0 H VAL A 61 -16.095 -0.787 7.842 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.555 -0.676 9.500 1.00 0.00 H new ATOM 0 HB VAL A 61 -18.317 -0.999 6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -20.473 -2.203 6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.192 -3.160 7.282 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.424 -2.345 8.275 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -20.435 0.268 6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.385 0.263 8.381 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -19.127 1.119 7.458 1.00 0.00 H new ATOM 1126 N ARG A 73 -21.361 1.074 11.836 1.00 0.00 N ATOM 1127 CA ARG A 73 -20.705 2.024 10.954 1.00 0.00 C ATOM 1128 C ARG A 73 -19.848 2.997 11.765 1.00 0.00 C ATOM 1129 O ARG A 73 -20.212 3.370 12.880 1.00 0.00 O ATOM 1130 CB ARG A 73 -21.730 2.815 10.137 1.00 0.00 C ATOM 1131 CG ARG A 73 -21.659 2.438 8.656 1.00 0.00 C ATOM 1132 CD ARG A 73 -22.315 3.511 7.786 1.00 0.00 C ATOM 1133 NE ARG A 73 -23.774 3.273 7.702 1.00 0.00 N ATOM 1134 CZ ARG A 73 -24.662 3.730 8.594 1.00 0.00 C ATOM 1135 NH1 ARG A 73 -24.247 4.452 9.644 1.00 0.00 N ATOM 1136 NH2 ARG A 73 -25.966 3.464 8.438 1.00 0.00 N ATOM 0 HA ARG A 73 -20.071 1.459 10.271 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -22.733 2.620 10.518 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -21.547 3.883 10.253 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.618 2.310 8.359 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -22.156 1.481 8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.123 4.499 8.206 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.878 3.498 6.787 1.00 0.00 H new ATOM 0 HE ARG A 73 -24.125 2.727 6.915 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -23.254 4.654 9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -24.924 4.800 10.323 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -26.282 2.913 7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -26.642 3.812 9.118 1.00 0.00 H new ATOM 1150 N SER A 74 -18.726 3.382 11.174 1.00 0.00 N ATOM 1151 CA SER A 74 -17.815 4.305 11.828 1.00 0.00 C ATOM 1152 C SER A 74 -16.935 4.999 10.785 1.00 0.00 C ATOM 1153 O SER A 74 -16.957 4.637 9.610 1.00 0.00 O ATOM 1154 CB SER A 74 -16.946 3.583 12.859 1.00 0.00 C ATOM 1155 OG SER A 74 -17.724 3.015 13.909 1.00 0.00 O ATOM 0 H SER A 74 -18.428 3.071 10.249 1.00 0.00 H new ATOM 0 HA SER A 74 -18.406 5.055 12.353 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.375 2.797 12.365 1.00 0.00 H new ATOM 0 HB3 SER A 74 -16.225 4.284 13.280 1.00 0.00 H new ATOM 0 HG SER A 74 -18.673 3.199 13.749 1.00 0.00 H new ATOM 1161 N LEU A 75 -16.183 5.984 11.253 1.00 0.00 N ATOM 1162 CA LEU A 75 -15.298 6.731 10.376 1.00 0.00 C ATOM 1163 C LEU A 75 -13.868 6.654 10.915 1.00 0.00 C ATOM 1164 O LEU A 75 -13.661 6.471 12.114 1.00 0.00 O ATOM 1165 CB LEU A 75 -15.809 8.162 10.192 1.00 0.00 C ATOM 1166 CG LEU A 75 -15.547 8.797 8.825 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -16.547 8.288 7.784 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -15.546 10.324 8.921 1.00 0.00 C ATOM 0 H LEU A 75 -16.168 6.282 12.228 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.288 6.289 9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.884 8.169 10.374 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.352 8.791 10.956 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.554 8.495 8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.339 8.755 6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.455 7.206 7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.560 8.540 8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.358 10.750 7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.515 10.666 9.285 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.765 10.645 9.611 1.00 0.00 H new ATOM 1180 N LEU A 76 -12.918 6.796 10.003 1.00 0.00 N ATOM 1181 CA LEU A 76 -11.513 6.744 10.371 1.00 0.00 C ATOM 1182 C LEU A 76 -10.915 8.150 10.285 1.00 0.00 C ATOM 1183 O LEU A 76 -11.345 8.962 9.467 1.00 0.00 O ATOM 1184 CB LEU A 76 -10.774 5.709 9.521 1.00 0.00 C ATOM 1185 CG LEU A 76 -11.431 4.330 9.423 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -10.755 3.477 8.347 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -11.445 3.631 10.784 1.00 0.00 C ATOM 0 H LEU A 76 -13.093 6.947 9.010 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.402 6.412 11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.662 6.109 8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.770 5.584 9.928 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.469 4.466 9.121 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.240 2.502 8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.841 3.975 7.381 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.702 3.346 8.595 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.917 2.653 10.686 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -10.422 3.506 11.139 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.006 4.235 11.497 1.00 0.00 H new ATOM 1199 N LYS A 77 -9.933 8.395 11.140 1.00 0.00 N ATOM 1200 CA LYS A 77 -9.272 9.688 11.170 1.00 0.00 C ATOM 1201 C LYS A 77 -8.180 9.724 10.100 1.00 0.00 C ATOM 1202 O LYS A 77 -8.074 8.807 9.286 1.00 0.00 O ATOM 1203 CB LYS A 77 -8.762 9.996 12.580 1.00 0.00 C ATOM 1204 CG LYS A 77 -7.389 9.365 12.816 1.00 0.00 C ATOM 1205 CD LYS A 77 -6.656 10.059 13.965 1.00 0.00 C ATOM 1206 CE LYS A 77 -6.606 11.573 13.749 1.00 0.00 C ATOM 1207 NZ LYS A 77 -5.367 12.139 14.327 1.00 0.00 N ATOM 0 H LYS A 77 -9.579 7.719 11.817 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.979 10.482 10.930 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.699 11.075 12.720 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.471 9.619 13.317 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.506 8.305 13.042 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.793 9.433 11.906 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.158 9.839 14.907 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.643 9.666 14.045 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.652 11.796 12.683 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.476 12.041 14.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.350 13.167 14.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.339 11.943 15.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.540 11.705 13.868 1.00 0.00 H new ATOM 1221 N GLU A 78 -7.396 10.791 10.135 1.00 0.00 N ATOM 1222 CA GLU A 78 -6.316 10.958 9.177 1.00 0.00 C ATOM 1223 C GLU A 78 -5.107 10.114 9.588 1.00 0.00 C ATOM 1224 O GLU A 78 -4.740 10.080 10.762 1.00 0.00 O ATOM 1225 CB GLU A 78 -5.932 12.432 9.034 1.00 0.00 C ATOM 1226 CG GLU A 78 -4.540 12.579 8.417 1.00 0.00 C ATOM 1227 CD GLU A 78 -4.516 12.039 6.985 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -5.284 12.582 6.161 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -3.729 11.097 6.747 1.00 0.00 O ATOM 0 H GLU A 78 -7.487 11.549 10.812 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.663 10.611 8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.666 12.944 8.411 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.953 12.913 10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.246 13.629 8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.811 12.043 9.024 1.00 0.00 H new ATOM 1236 N GLY A 79 -4.523 9.453 8.600 1.00 0.00 N ATOM 1237 CA GLY A 79 -3.364 8.612 8.844 1.00 0.00 C ATOM 1238 C GLY A 79 -3.787 7.201 9.256 1.00 0.00 C ATOM 1239 O GLY A 79 -2.955 6.394 9.668 1.00 0.00 O ATOM 0 H GLY A 79 -4.831 9.483 7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.750 8.563 7.945 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.748 9.054 9.627 1.00 0.00 H new ATOM 1243 N ASP A 80 -5.081 6.946 9.130 1.00 0.00 N ATOM 1244 CA ASP A 80 -5.626 5.646 9.484 1.00 0.00 C ATOM 1245 C ASP A 80 -5.231 4.624 8.415 1.00 0.00 C ATOM 1246 O ASP A 80 -5.412 4.866 7.223 1.00 0.00 O ATOM 1247 CB ASP A 80 -7.153 5.689 9.555 1.00 0.00 C ATOM 1248 CG ASP A 80 -7.866 5.642 8.202 1.00 0.00 C ATOM 1249 OD1 ASP A 80 -7.934 4.530 7.635 1.00 0.00 O ATOM 1250 OD2 ASP A 80 -8.326 6.719 7.765 1.00 0.00 O ATOM 0 H ASP A 80 -5.768 7.618 8.788 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.228 5.368 10.460 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.497 4.850 10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.452 6.599 10.075 1.00 0.00 H new ATOM 1255 N PHE A 81 -4.699 3.504 8.881 1.00 0.00 N ATOM 1256 CA PHE A 81 -4.278 2.445 7.980 1.00 0.00 C ATOM 1257 C PHE A 81 -5.167 1.209 8.132 1.00 0.00 C ATOM 1258 O PHE A 81 -5.614 0.893 9.234 1.00 0.00 O ATOM 1259 CB PHE A 81 -2.843 2.075 8.364 1.00 0.00 C ATOM 1260 CG PHE A 81 -2.584 2.069 9.872 1.00 0.00 C ATOM 1261 CD1 PHE A 81 -3.025 1.032 10.633 1.00 0.00 C ATOM 1262 CD2 PHE A 81 -1.914 3.102 10.451 1.00 0.00 C ATOM 1263 CE1 PHE A 81 -2.784 1.026 12.033 1.00 0.00 C ATOM 1264 CE2 PHE A 81 -1.674 3.096 11.851 1.00 0.00 C ATOM 1265 CZ PHE A 81 -2.114 2.058 12.612 1.00 0.00 C ATOM 0 H PHE A 81 -4.550 3.307 9.871 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.349 2.786 6.947 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.613 1.088 7.962 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.158 2.779 7.891 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.558 0.213 10.173 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.565 3.926 9.846 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.133 0.202 12.637 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.142 3.916 12.311 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.931 2.053 13.676 1.00 0.00 H new ATOM 1275 N CYS A 82 -5.398 0.544 7.010 1.00 0.00 N ATOM 1276 CA CYS A 82 -6.227 -0.650 7.004 1.00 0.00 C ATOM 1277 C CYS A 82 -5.340 -1.848 6.659 1.00 0.00 C ATOM 1278 O CYS A 82 -4.198 -1.678 6.235 1.00 0.00 O ATOM 1279 CB CYS A 82 -7.406 -0.515 6.038 1.00 0.00 C ATOM 1280 SG CYS A 82 -8.479 0.875 6.551 1.00 0.00 S ATOM 0 H CYS A 82 -5.026 0.809 6.098 1.00 0.00 H new ATOM 0 HA CYS A 82 -6.666 -0.797 7.991 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -7.040 -0.348 5.025 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.980 -1.441 6.020 1.00 0.00 H new ATOM 0 HG CYS A 82 -9.205 1.257 5.543 1.00 0.00 H new ATOM 1286 N GLY A 83 -5.900 -3.033 6.854 1.00 0.00 N ATOM 1287 CA GLY A 83 -5.174 -4.259 6.569 1.00 0.00 C ATOM 1288 C GLY A 83 -3.720 -4.156 7.032 1.00 0.00 C ATOM 1289 O GLY A 83 -2.825 -4.727 6.411 1.00 0.00 O ATOM 0 H GLY A 83 -6.848 -3.170 7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.660 -5.098 7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.205 -4.464 5.499 1.00 0.00 H new ATOM 1293 N ASP A 84 -3.529 -3.424 8.120 1.00 0.00 N ATOM 1294 CA ASP A 84 -2.199 -3.239 8.674 1.00 0.00 C ATOM 1295 C ASP A 84 -1.583 -4.606 8.977 1.00 0.00 C ATOM 1296 O ASP A 84 -0.361 -4.742 9.033 1.00 0.00 O ATOM 1297 CB ASP A 84 -2.252 -2.444 9.980 1.00 0.00 C ATOM 1298 CG ASP A 84 -2.472 -3.283 11.239 1.00 0.00 C ATOM 1299 OD1 ASP A 84 -1.541 -4.041 11.587 1.00 0.00 O ATOM 1300 OD2 ASP A 84 -3.568 -3.148 11.827 1.00 0.00 O ATOM 0 H ASP A 84 -4.274 -2.952 8.633 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.602 -2.693 7.944 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.319 -1.891 10.089 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.053 -1.708 9.908 1.00 0.00 H new ATOM 1305 N GLU A 85 -2.456 -5.584 9.166 1.00 0.00 N ATOM 1306 CA GLU A 85 -2.013 -6.936 9.462 1.00 0.00 C ATOM 1307 C GLU A 85 -0.981 -7.395 8.430 1.00 0.00 C ATOM 1308 O GLU A 85 -0.096 -8.189 8.742 1.00 0.00 O ATOM 1309 CB GLU A 85 -3.198 -7.901 9.519 1.00 0.00 C ATOM 1310 CG GLU A 85 -4.055 -7.645 10.761 1.00 0.00 C ATOM 1311 CD GLU A 85 -3.704 -8.626 11.881 1.00 0.00 C ATOM 1312 OE1 GLU A 85 -2.767 -8.305 12.644 1.00 0.00 O ATOM 1313 OE2 GLU A 85 -4.380 -9.675 11.949 1.00 0.00 O ATOM 0 H GLU A 85 -3.468 -5.467 9.120 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.540 -6.935 10.444 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.808 -7.787 8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.835 -8.929 9.529 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.903 -6.623 11.107 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.110 -7.742 10.505 1.00 0.00 H new ATOM 1320 N LEU A 86 -1.130 -6.875 7.220 1.00 0.00 N ATOM 1321 CA LEU A 86 -0.222 -7.221 6.140 1.00 0.00 C ATOM 1322 C LEU A 86 1.206 -6.845 6.539 1.00 0.00 C ATOM 1323 O LEU A 86 2.128 -7.646 6.389 1.00 0.00 O ATOM 1324 CB LEU A 86 -0.682 -6.582 4.828 1.00 0.00 C ATOM 1325 CG LEU A 86 0.170 -6.894 3.596 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -0.063 -8.327 3.116 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -0.077 -5.870 2.486 1.00 0.00 C ATOM 0 H LEU A 86 -1.866 -6.217 6.964 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.231 -8.297 5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.704 -6.903 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.708 -5.501 4.963 1.00 0.00 H new ATOM 0 HG LEU A 86 1.220 -6.817 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.555 -8.522 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.203 -9.025 3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.113 -8.457 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.541 -6.114 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.128 -5.891 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.181 -4.874 2.846 1.00 0.00 H new ATOM 1339 N LEU A 87 1.345 -5.627 7.041 1.00 0.00 N ATOM 1340 CA LEU A 87 2.646 -5.135 7.463 1.00 0.00 C ATOM 1341 C LEU A 87 3.331 -6.195 8.328 1.00 0.00 C ATOM 1342 O LEU A 87 4.478 -6.560 8.077 1.00 0.00 O ATOM 1343 CB LEU A 87 2.507 -3.775 8.151 1.00 0.00 C ATOM 1344 CG LEU A 87 3.624 -2.767 7.875 1.00 0.00 C ATOM 1345 CD1 LEU A 87 3.678 -2.402 6.390 1.00 0.00 C ATOM 1346 CD2 LEU A 87 3.478 -1.531 8.764 1.00 0.00 C ATOM 0 H LEU A 87 0.578 -4.966 7.165 1.00 0.00 H new ATOM 0 HA LEU A 87 3.288 -4.965 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.560 -3.331 7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.450 -3.939 9.227 1.00 0.00 H new ATOM 0 HG LEU A 87 4.576 -3.234 8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.480 -1.684 6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.864 -3.300 5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.728 -1.961 6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.284 -0.830 8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.519 -1.052 8.567 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.527 -1.828 9.812 1.00 0.00 H new ATOM 1358 N THR A 88 2.598 -6.660 9.329 1.00 0.00 N ATOM 1359 CA THR A 88 3.120 -7.670 10.233 1.00 0.00 C ATOM 1360 C THR A 88 3.328 -8.992 9.492 1.00 0.00 C ATOM 1361 O THR A 88 4.344 -9.660 9.679 1.00 0.00 O ATOM 1362 CB THR A 88 2.162 -7.784 11.420 1.00 0.00 C ATOM 1363 OG1 THR A 88 2.832 -7.097 12.474 1.00 0.00 O ATOM 1364 CG2 THR A 88 2.033 -9.219 11.934 1.00 0.00 C ATOM 0 H THR A 88 1.646 -6.356 9.534 1.00 0.00 H new ATOM 0 HA THR A 88 4.101 -7.389 10.615 1.00 0.00 H new ATOM 0 HB THR A 88 1.179 -7.413 11.129 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.279 -7.121 13.283 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.342 -9.243 12.776 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.656 -9.859 11.136 1.00 0.00 H new ATOM 0 HG23 THR A 88 3.010 -9.579 12.256 1.00 0.00 H new ATOM 1372 N TRP A 89 2.349 -9.331 8.665 1.00 0.00 N ATOM 1373 CA TRP A 89 2.412 -10.561 7.894 1.00 0.00 C ATOM 1374 C TRP A 89 3.805 -10.656 7.269 1.00 0.00 C ATOM 1375 O TRP A 89 4.531 -11.621 7.506 1.00 0.00 O ATOM 1376 CB TRP A 89 1.287 -10.618 6.859 1.00 0.00 C ATOM 1377 CG TRP A 89 1.454 -11.726 5.818 1.00 0.00 C ATOM 1378 CD1 TRP A 89 1.056 -13.003 5.902 1.00 0.00 C ATOM 1379 CD2 TRP A 89 2.085 -11.604 4.526 1.00 0.00 C ATOM 1380 NE1 TRP A 89 1.382 -13.710 4.762 1.00 0.00 N ATOM 1381 CE2 TRP A 89 2.028 -12.832 3.899 1.00 0.00 C ATOM 1382 CE3 TRP A 89 2.684 -10.493 3.907 1.00 0.00 C ATOM 1383 CZ2 TRP A 89 2.551 -13.066 2.622 1.00 0.00 C ATOM 1384 CZ3 TRP A 89 3.202 -10.743 2.631 1.00 0.00 C ATOM 1385 CH2 TRP A 89 3.152 -11.974 1.986 1.00 0.00 C ATOM 0 H TRP A 89 1.508 -8.775 8.512 1.00 0.00 H new ATOM 0 HA TRP A 89 2.259 -11.428 8.537 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.338 -10.760 7.376 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.230 -9.658 6.346 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.545 -13.426 6.754 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.185 -14.695 4.585 1.00 0.00 H new ATOM 0 HE3 TRP A 89 2.740 -9.523 4.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 2.494 -14.037 2.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 3.674 -9.922 2.111 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.575 -12.087 0.999 1.00 0.00 H new ATOM 1396 N ALA A 90 4.137 -9.643 6.483 1.00 0.00 N ATOM 1397 CA ALA A 90 5.430 -9.600 5.821 1.00 0.00 C ATOM 1398 C ALA A 90 6.538 -9.679 6.873 1.00 0.00 C ATOM 1399 O ALA A 90 7.545 -10.357 6.669 1.00 0.00 O ATOM 1400 CB ALA A 90 5.526 -8.334 4.967 1.00 0.00 C ATOM 0 H ALA A 90 3.532 -8.845 6.289 1.00 0.00 H new ATOM 0 HA ALA A 90 5.547 -10.453 5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.496 -8.302 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.735 -8.340 4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.416 -7.456 5.604 1.00 0.00 H new ATOM 1406 N LEU A 91 6.316 -8.978 7.975 1.00 0.00 N ATOM 1407 CA LEU A 91 7.284 -8.960 9.059 1.00 0.00 C ATOM 1408 C LEU A 91 7.331 -10.340 9.717 1.00 0.00 C ATOM 1409 O LEU A 91 8.251 -10.638 10.477 1.00 0.00 O ATOM 1410 CB LEU A 91 6.974 -7.823 10.034 1.00 0.00 C ATOM 1411 CG LEU A 91 7.889 -6.599 9.951 1.00 0.00 C ATOM 1412 CD1 LEU A 91 8.351 -6.358 8.512 1.00 0.00 C ATOM 1413 CD2 LEU A 91 7.211 -5.366 10.550 1.00 0.00 C ATOM 0 H LEU A 91 5.480 -8.418 8.141 1.00 0.00 H new ATOM 0 HA LEU A 91 8.284 -8.756 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.948 -7.497 9.866 1.00 0.00 H new ATOM 0 HB3 LEU A 91 7.021 -8.218 11.049 1.00 0.00 H new ATOM 0 HG LEU A 91 8.780 -6.797 10.547 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.000 -5.483 8.480 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.900 -7.230 8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.483 -6.190 7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.883 -4.511 10.478 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.293 -5.153 10.002 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.973 -5.554 11.597 1.00 0.00 H new ATOM 1425 N ASP A 92 6.327 -11.146 9.401 1.00 0.00 N ATOM 1426 CA ASP A 92 6.242 -12.487 9.953 1.00 0.00 C ATOM 1427 C ASP A 92 6.291 -13.507 8.813 1.00 0.00 C ATOM 1428 O ASP A 92 5.272 -13.791 8.186 1.00 0.00 O ATOM 1429 CB ASP A 92 4.929 -12.689 10.712 1.00 0.00 C ATOM 1430 CG ASP A 92 5.081 -12.928 12.215 1.00 0.00 C ATOM 1431 OD1 ASP A 92 5.967 -12.275 12.807 1.00 0.00 O ATOM 1432 OD2 ASP A 92 4.308 -13.760 12.738 1.00 0.00 O ATOM 0 H ASP A 92 5.566 -10.896 8.770 1.00 0.00 H new ATOM 0 HA ASP A 92 7.079 -12.623 10.638 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.301 -11.811 10.561 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.402 -13.537 10.276 1.00 0.00 H new ATOM 1437 N PRO A 93 7.518 -14.043 8.574 1.00 0.00 N ATOM 1438 CA PRO A 93 7.713 -15.025 7.521 1.00 0.00 C ATOM 1439 C PRO A 93 7.158 -16.390 7.934 1.00 0.00 C ATOM 1440 O PRO A 93 6.664 -17.142 7.096 1.00 0.00 O ATOM 1441 CB PRO A 93 9.212 -15.043 7.273 1.00 0.00 C ATOM 1442 CG PRO A 93 9.846 -14.420 8.506 1.00 0.00 C ATOM 1443 CD PRO A 93 8.747 -13.730 9.297 1.00 0.00 C ATOM 0 HA PRO A 93 7.175 -14.774 6.607 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.571 -16.061 7.122 1.00 0.00 H new ATOM 0 HB3 PRO A 93 9.466 -14.479 6.376 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.331 -15.184 9.113 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.616 -13.704 8.219 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.707 -14.097 10.323 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.913 -12.654 9.349 1.00 0.00 H new ATOM 1451 N LYS A 94 7.259 -16.667 9.225 1.00 0.00 N ATOM 1452 CA LYS A 94 6.774 -17.928 9.760 1.00 0.00 C ATOM 1453 C LYS A 94 5.310 -18.118 9.358 1.00 0.00 C ATOM 1454 O LYS A 94 4.880 -19.236 9.077 1.00 0.00 O ATOM 1455 CB LYS A 94 7.010 -17.997 11.270 1.00 0.00 C ATOM 1456 CG LYS A 94 8.491 -17.801 11.603 1.00 0.00 C ATOM 1457 CD LYS A 94 9.364 -18.779 10.814 1.00 0.00 C ATOM 1458 CE LYS A 94 10.497 -19.327 11.684 1.00 0.00 C ATOM 1459 NZ LYS A 94 11.397 -18.233 12.113 1.00 0.00 N ATOM 0 H LYS A 94 7.670 -16.040 9.917 1.00 0.00 H new ATOM 0 HA LYS A 94 7.333 -18.761 9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.417 -17.231 11.770 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.672 -18.961 11.651 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.787 -16.777 11.374 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.650 -17.947 12.672 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.752 -19.603 10.446 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.781 -18.277 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.082 -19.828 12.558 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.063 -20.074 11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.223 -18.634 12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.714 -17.697 11.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.887 -17.598 12.760 1.00 0.00 H new ATOM 1516 N LEU A 99 -2.466 -15.202 2.318 1.00 0.00 N ATOM 1517 CA LEU A 99 -2.474 -13.788 2.654 1.00 0.00 C ATOM 1518 C LEU A 99 -3.221 -13.587 3.974 1.00 0.00 C ATOM 1519 O LEU A 99 -4.033 -14.424 4.366 1.00 0.00 O ATOM 1520 CB LEU A 99 -3.040 -12.965 1.496 1.00 0.00 C ATOM 1521 CG LEU A 99 -2.288 -13.070 0.168 1.00 0.00 C ATOM 1522 CD1 LEU A 99 -3.168 -12.616 -0.998 1.00 0.00 C ATOM 1523 CD2 LEU A 99 -0.967 -12.299 0.223 1.00 0.00 C ATOM 0 HA LEU A 99 -1.457 -13.426 2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.073 -13.270 1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.061 -11.918 1.797 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.042 -14.118 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.609 -12.701 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.057 -13.245 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.466 -11.578 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.452 -12.390 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.168 -11.248 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.339 -12.710 1.013 1.00 0.00 H new ATOM 1535 N PRO A 100 -2.912 -12.443 4.641 1.00 0.00 N ATOM 1536 CA PRO A 100 -3.545 -12.121 5.909 1.00 0.00 C ATOM 1537 C PRO A 100 -4.986 -11.651 5.699 1.00 0.00 C ATOM 1538 O PRO A 100 -5.479 -11.635 4.572 1.00 0.00 O ATOM 1539 CB PRO A 100 -2.658 -11.056 6.533 1.00 0.00 C ATOM 1540 CG PRO A 100 -1.825 -10.488 5.395 1.00 0.00 C ATOM 1541 CD PRO A 100 -1.956 -11.429 4.207 1.00 0.00 C ATOM 0 HA PRO A 100 -3.630 -12.985 6.568 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.256 -10.277 7.006 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.021 -11.483 7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.171 -9.489 5.131 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.781 -10.395 5.695 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.312 -10.902 3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.996 -11.875 3.948 1.00 0.00 H new ATOM 1549 N SER A 101 -5.620 -11.279 6.801 1.00 0.00 N ATOM 1550 CA SER A 101 -6.994 -10.809 6.752 1.00 0.00 C ATOM 1551 C SER A 101 -7.082 -9.389 7.313 1.00 0.00 C ATOM 1552 O SER A 101 -6.205 -8.957 8.060 1.00 0.00 O ATOM 1553 CB SER A 101 -7.924 -11.745 7.527 1.00 0.00 C ATOM 1554 OG SER A 101 -9.295 -11.401 7.350 1.00 0.00 O ATOM 0 H SER A 101 -5.207 -11.294 7.734 1.00 0.00 H new ATOM 0 HA SER A 101 -7.316 -10.801 5.711 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.762 -12.771 7.198 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.675 -11.708 8.587 1.00 0.00 H new ATOM 0 HG SER A 101 -9.857 -12.022 7.859 1.00 0.00 H new ATOM 1560 N SER A 102 -8.149 -8.701 6.933 1.00 0.00 N ATOM 1561 CA SER A 102 -8.363 -7.339 7.389 1.00 0.00 C ATOM 1562 C SER A 102 -9.064 -7.346 8.749 1.00 0.00 C ATOM 1563 O SER A 102 -9.634 -8.359 9.152 1.00 0.00 O ATOM 1564 CB SER A 102 -9.182 -6.540 6.374 1.00 0.00 C ATOM 1565 OG SER A 102 -9.322 -5.174 6.756 1.00 0.00 O ATOM 0 H SER A 102 -8.875 -9.062 6.314 1.00 0.00 H new ATOM 0 HA SER A 102 -7.391 -6.856 7.491 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.702 -6.596 5.397 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.169 -6.990 6.270 1.00 0.00 H new ATOM 0 HG SER A 102 -10.271 -4.929 6.753 1.00 0.00 H new ATOM 1571 N THR A 103 -9.000 -6.205 9.419 1.00 0.00 N ATOM 1572 CA THR A 103 -9.622 -6.067 10.725 1.00 0.00 C ATOM 1573 C THR A 103 -11.078 -5.621 10.578 1.00 0.00 C ATOM 1574 O THR A 103 -11.917 -5.940 11.419 1.00 0.00 O ATOM 1575 CB THR A 103 -8.772 -5.103 11.554 1.00 0.00 C ATOM 1576 OG1 THR A 103 -8.549 -3.998 10.682 1.00 0.00 O ATOM 1577 CG2 THR A 103 -7.369 -5.648 11.830 1.00 0.00 C ATOM 0 H THR A 103 -8.527 -5.367 9.082 1.00 0.00 H new ATOM 0 HA THR A 103 -9.659 -7.022 11.248 1.00 0.00 H new ATOM 0 HB THR A 103 -9.275 -4.898 12.499 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.006 -3.323 11.141 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.808 -4.925 12.422 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.445 -6.586 12.380 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.854 -5.822 10.885 1.00 0.00 H new ATOM 1585 N ARG A 104 -11.334 -4.890 9.502 1.00 0.00 N ATOM 1586 CA ARG A 104 -12.674 -4.397 9.234 1.00 0.00 C ATOM 1587 C ARG A 104 -12.847 -4.116 7.740 1.00 0.00 C ATOM 1588 O ARG A 104 -11.892 -4.215 6.972 1.00 0.00 O ATOM 1589 CB ARG A 104 -12.958 -3.118 10.024 1.00 0.00 C ATOM 1590 CG ARG A 104 -12.093 -1.960 9.522 1.00 0.00 C ATOM 1591 CD ARG A 104 -10.657 -2.086 10.036 1.00 0.00 C ATOM 1592 NE ARG A 104 -10.663 -2.362 11.490 1.00 0.00 N ATOM 1593 CZ ARG A 104 -10.905 -1.437 12.430 1.00 0.00 C ATOM 1594 NH1 ARG A 104 -11.162 -0.171 12.073 1.00 0.00 N ATOM 1595 NH2 ARG A 104 -10.890 -1.779 13.725 1.00 0.00 N ATOM 0 H ARG A 104 -10.636 -4.628 8.806 1.00 0.00 H new ATOM 0 HA ARG A 104 -13.380 -5.167 9.546 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -14.012 -2.856 9.932 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.764 -3.289 11.083 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.093 -1.947 8.432 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.520 -1.013 9.852 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.142 -2.888 9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.108 -1.166 9.834 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.471 -3.316 11.796 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.173 0.088 11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.346 0.533 12.788 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.695 -2.743 13.996 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.074 -1.076 14.440 1.00 0.00 H new ATOM 1609 N THR A 105 -14.072 -3.770 7.374 1.00 0.00 N ATOM 1610 CA THR A 105 -14.383 -3.473 5.986 1.00 0.00 C ATOM 1611 C THR A 105 -14.482 -1.961 5.773 1.00 0.00 C ATOM 1612 O THR A 105 -15.384 -1.314 6.302 1.00 0.00 O ATOM 1613 CB THR A 105 -15.664 -4.224 5.617 1.00 0.00 C ATOM 1614 OG1 THR A 105 -15.325 -5.597 5.796 1.00 0.00 O ATOM 1615 CG2 THR A 105 -15.999 -4.114 4.128 1.00 0.00 C ATOM 0 H THR A 105 -14.861 -3.689 8.015 1.00 0.00 H new ATOM 0 HA THR A 105 -13.588 -3.812 5.322 1.00 0.00 H new ATOM 0 HB THR A 105 -16.495 -3.835 6.206 1.00 0.00 H new ATOM 0 HG1 THR A 105 -16.100 -6.156 5.580 1.00 0.00 H new ATOM 0 HG21 THR A 105 -16.917 -4.664 3.920 1.00 0.00 H new ATOM 0 HG22 THR A 105 -16.136 -3.066 3.862 1.00 0.00 H new ATOM 0 HG23 THR A 105 -15.183 -4.533 3.540 1.00 0.00 H new ATOM 1623 N VAL A 106 -13.542 -1.442 4.996 1.00 0.00 N ATOM 1624 CA VAL A 106 -13.512 -0.019 4.707 1.00 0.00 C ATOM 1625 C VAL A 106 -13.834 0.203 3.228 1.00 0.00 C ATOM 1626 O VAL A 106 -13.533 -0.645 2.389 1.00 0.00 O ATOM 1627 CB VAL A 106 -12.163 0.571 5.120 1.00 0.00 C ATOM 1628 CG1 VAL A 106 -11.967 1.965 4.521 1.00 0.00 C ATOM 1629 CG2 VAL A 106 -12.022 0.605 6.643 1.00 0.00 C ATOM 0 H VAL A 106 -12.796 -1.982 4.558 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.271 0.505 5.288 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.380 -0.077 4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.000 2.361 4.831 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.002 1.902 3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -12.759 2.626 4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.054 1.029 6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.816 1.219 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.095 -0.408 7.038 1.00 0.00 H new ATOM 1639 N LYS A 107 -14.441 1.348 2.952 1.00 0.00 N ATOM 1640 CA LYS A 107 -14.807 1.693 1.589 1.00 0.00 C ATOM 1641 C LYS A 107 -14.473 3.163 1.332 1.00 0.00 C ATOM 1642 O LYS A 107 -14.116 3.893 2.255 1.00 0.00 O ATOM 1643 CB LYS A 107 -16.271 1.338 1.321 1.00 0.00 C ATOM 1644 CG LYS A 107 -16.436 0.694 -0.057 1.00 0.00 C ATOM 1645 CD LYS A 107 -17.904 0.691 -0.489 1.00 0.00 C ATOM 1646 CE LYS A 107 -18.405 2.116 -0.735 1.00 0.00 C ATOM 1647 NZ LYS A 107 -19.733 2.091 -1.388 1.00 0.00 N ATOM 0 H LYS A 107 -14.689 2.049 3.650 1.00 0.00 H new ATOM 0 HA LYS A 107 -14.226 1.105 0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -16.630 0.655 2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -16.884 2.237 1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -15.839 1.237 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -16.058 -0.328 -0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -18.019 0.099 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -18.512 0.215 0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -18.468 2.654 0.211 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -17.695 2.655 -1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -20.014 3.060 -1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -19.686 1.509 -2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -20.434 1.686 -0.735 1.00 0.00 H new ATOM 1661 N ALA A 108 -14.600 3.555 0.072 1.00 0.00 N ATOM 1662 CA ALA A 108 -14.316 4.925 -0.318 1.00 0.00 C ATOM 1663 C ALA A 108 -15.622 5.619 -0.713 1.00 0.00 C ATOM 1664 O ALA A 108 -16.227 5.278 -1.729 1.00 0.00 O ATOM 1665 CB ALA A 108 -13.287 4.931 -1.449 1.00 0.00 C ATOM 0 H ALA A 108 -14.896 2.947 -0.692 1.00 0.00 H new ATOM 0 HA ALA A 108 -13.886 5.481 0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.074 5.959 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.369 4.453 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.684 4.385 -2.305 1.00 0.00 H new ATOM 1671 N LEU A 109 -16.017 6.579 0.109 1.00 0.00 N ATOM 1672 CA LEU A 109 -17.239 7.324 -0.142 1.00 0.00 C ATOM 1673 C LEU A 109 -16.900 8.614 -0.891 1.00 0.00 C ATOM 1674 O LEU A 109 -17.742 9.165 -1.599 1.00 0.00 O ATOM 1675 CB LEU A 109 -18.005 7.553 1.163 1.00 0.00 C ATOM 1676 CG LEU A 109 -17.805 6.497 2.252 1.00 0.00 C ATOM 1677 CD1 LEU A 109 -16.745 6.944 3.261 1.00 0.00 C ATOM 1678 CD2 LEU A 109 -19.132 6.151 2.930 1.00 0.00 C ATOM 0 H LEU A 109 -15.512 6.859 0.950 1.00 0.00 H new ATOM 0 HA LEU A 109 -17.910 6.751 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -17.714 8.523 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -19.069 7.611 0.932 1.00 0.00 H new ATOM 0 HG LEU A 109 -17.437 5.586 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -16.622 6.176 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -15.796 7.100 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -17.060 7.875 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -18.962 5.398 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -19.552 7.048 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -19.829 5.760 2.188 1.00 0.00 H new ATOM 1690 N THR A 110 -15.666 9.060 -0.709 1.00 0.00 N ATOM 1691 CA THR A 110 -15.205 10.275 -1.358 1.00 0.00 C ATOM 1692 C THR A 110 -13.811 10.067 -1.952 1.00 0.00 C ATOM 1693 O THR A 110 -13.128 9.099 -1.619 1.00 0.00 O ATOM 1694 CB THR A 110 -15.266 11.411 -0.334 1.00 0.00 C ATOM 1695 OG1 THR A 110 -14.531 12.468 -0.944 1.00 0.00 O ATOM 1696 CG2 THR A 110 -14.477 11.094 0.938 1.00 0.00 C ATOM 0 H THR A 110 -14.971 8.601 -0.121 1.00 0.00 H new ATOM 0 HA THR A 110 -15.846 10.541 -2.199 1.00 0.00 H new ATOM 0 HB THR A 110 -16.306 11.612 -0.076 1.00 0.00 H new ATOM 0 HG1 THR A 110 -14.521 13.246 -0.348 1.00 0.00 H new ATOM 0 HG21 THR A 110 -14.553 11.932 1.631 1.00 0.00 H new ATOM 0 HG22 THR A 110 -14.885 10.198 1.406 1.00 0.00 H new ATOM 0 HG23 THR A 110 -13.430 10.926 0.685 1.00 0.00 H new ATOM 1704 N GLU A 111 -13.429 10.991 -2.822 1.00 0.00 N ATOM 1705 CA GLU A 111 -12.128 10.921 -3.466 1.00 0.00 C ATOM 1706 C GLU A 111 -11.022 10.798 -2.416 1.00 0.00 C ATOM 1707 O GLU A 111 -10.796 11.723 -1.636 1.00 0.00 O ATOM 1708 CB GLU A 111 -11.897 12.135 -4.367 1.00 0.00 C ATOM 1709 CG GLU A 111 -11.334 11.710 -5.725 1.00 0.00 C ATOM 1710 CD GLU A 111 -11.248 12.902 -6.680 1.00 0.00 C ATOM 1711 OE1 GLU A 111 -12.326 13.356 -7.120 1.00 0.00 O ATOM 1712 OE2 GLU A 111 -10.106 13.334 -6.949 1.00 0.00 O ATOM 0 H GLU A 111 -13.998 11.792 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.103 10.032 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.836 12.670 -4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.207 12.826 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.344 11.274 -5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.967 10.936 -6.159 1.00 0.00 H new ATOM 1719 N VAL A 112 -10.362 9.650 -2.429 1.00 0.00 N ATOM 1720 CA VAL A 112 -9.285 9.395 -1.488 1.00 0.00 C ATOM 1721 C VAL A 112 -7.942 9.504 -2.214 1.00 0.00 C ATOM 1722 O VAL A 112 -7.863 9.271 -3.419 1.00 0.00 O ATOM 1723 CB VAL A 112 -9.491 8.037 -0.813 1.00 0.00 C ATOM 1724 CG1 VAL A 112 -8.528 7.858 0.363 1.00 0.00 C ATOM 1725 CG2 VAL A 112 -10.943 7.862 -0.364 1.00 0.00 C ATOM 0 H VAL A 112 -10.552 8.885 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.287 10.142 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.272 7.261 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.695 6.885 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.500 7.918 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.702 8.644 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.062 6.889 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.201 8.648 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.602 7.925 -1.230 1.00 0.00 H new ATOM 1735 N GLU A 113 -6.920 9.860 -1.449 1.00 0.00 N ATOM 1736 CA GLU A 113 -5.585 10.003 -2.004 1.00 0.00 C ATOM 1737 C GLU A 113 -4.575 9.215 -1.168 1.00 0.00 C ATOM 1738 O GLU A 113 -4.238 9.617 -0.055 1.00 0.00 O ATOM 1739 CB GLU A 113 -5.187 11.477 -2.100 1.00 0.00 C ATOM 1740 CG GLU A 113 -5.774 12.123 -3.357 1.00 0.00 C ATOM 1741 CD GLU A 113 -7.291 12.280 -3.234 1.00 0.00 C ATOM 1742 OE1 GLU A 113 -7.769 12.292 -2.080 1.00 0.00 O ATOM 1743 OE2 GLU A 113 -7.938 12.385 -4.299 1.00 0.00 O ATOM 0 H GLU A 113 -6.990 10.053 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.587 9.595 -3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.537 12.010 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.101 11.564 -2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -5.315 13.099 -3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.537 11.513 -4.229 1.00 0.00 H new ATOM 1750 N ALA A 114 -4.120 8.108 -1.735 1.00 0.00 N ATOM 1751 CA ALA A 114 -3.155 7.261 -1.056 1.00 0.00 C ATOM 1752 C ALA A 114 -2.456 6.367 -2.082 1.00 0.00 C ATOM 1753 O ALA A 114 -2.811 6.372 -3.260 1.00 0.00 O ATOM 1754 CB ALA A 114 -3.863 6.454 0.034 1.00 0.00 C ATOM 0 H ALA A 114 -4.402 7.778 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.389 7.865 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.139 5.818 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.318 7.135 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.637 5.833 -0.418 1.00 0.00 H new ATOM 1760 N PHE A 115 -1.475 5.620 -1.597 1.00 0.00 N ATOM 1761 CA PHE A 115 -0.723 4.722 -2.458 1.00 0.00 C ATOM 1762 C PHE A 115 -1.025 3.260 -2.123 1.00 0.00 C ATOM 1763 O PHE A 115 -1.713 2.973 -1.144 1.00 0.00 O ATOM 1764 CB PHE A 115 0.761 4.995 -2.202 1.00 0.00 C ATOM 1765 CG PHE A 115 1.241 6.354 -2.715 1.00 0.00 C ATOM 1766 CD1 PHE A 115 1.656 6.487 -4.003 1.00 0.00 C ATOM 1767 CD2 PHE A 115 1.253 7.430 -1.883 1.00 0.00 C ATOM 1768 CE1 PHE A 115 2.102 7.748 -4.480 1.00 0.00 C ATOM 1769 CE2 PHE A 115 1.699 8.691 -2.359 1.00 0.00 C ATOM 1770 CZ PHE A 115 2.114 8.824 -3.648 1.00 0.00 C ATOM 0 H PHE A 115 -1.183 5.618 -0.620 1.00 0.00 H new ATOM 0 HA PHE A 115 -0.994 4.892 -3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.951 4.935 -1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.351 4.210 -2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.646 5.633 -4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.923 7.325 -0.860 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.432 7.853 -5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.709 9.545 -1.698 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.453 9.783 -4.010 1.00 0.00 H new ATOM 1780 N ALA A 116 -0.496 2.375 -2.955 1.00 0.00 N ATOM 1781 CA ALA A 116 -0.701 0.949 -2.759 1.00 0.00 C ATOM 1782 C ALA A 116 0.628 0.295 -2.377 1.00 0.00 C ATOM 1783 O ALA A 116 1.695 0.835 -2.666 1.00 0.00 O ATOM 1784 CB ALA A 116 -1.307 0.342 -4.026 1.00 0.00 C ATOM 0 H ALA A 116 0.074 2.617 -3.766 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.402 0.770 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.461 -0.727 -3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.263 0.821 -4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.629 0.499 -4.865 1.00 0.00 H new ATOM 1790 N LEU A 117 0.520 -0.858 -1.733 1.00 0.00 N ATOM 1791 CA LEU A 117 1.700 -1.591 -1.308 1.00 0.00 C ATOM 1792 C LEU A 117 1.422 -3.093 -1.397 1.00 0.00 C ATOM 1793 O LEU A 117 0.487 -3.592 -0.773 1.00 0.00 O ATOM 1794 CB LEU A 117 2.146 -1.129 0.081 1.00 0.00 C ATOM 1795 CG LEU A 117 3.653 -1.160 0.346 1.00 0.00 C ATOM 1796 CD1 LEU A 117 4.283 -2.435 -0.218 1.00 0.00 C ATOM 1797 CD2 LEU A 117 4.331 0.101 -0.193 1.00 0.00 C ATOM 0 H LEU A 117 -0.367 -1.302 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 117 2.538 -1.382 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.791 -0.110 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.653 -1.754 0.826 1.00 0.00 H new ATOM 0 HG LEU A 117 3.809 -1.173 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.354 -2.432 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.827 -3.305 0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.117 -2.478 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.401 0.053 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.167 0.171 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.909 0.979 0.296 1.00 0.00 H new ATOM 1809 N ILE A 118 2.251 -3.770 -2.178 1.00 0.00 N ATOM 1810 CA ILE A 118 2.105 -5.205 -2.357 1.00 0.00 C ATOM 1811 C ILE A 118 2.881 -5.933 -1.256 1.00 0.00 C ATOM 1812 O ILE A 118 3.956 -5.492 -0.854 1.00 0.00 O ATOM 1813 CB ILE A 118 2.518 -5.613 -3.772 1.00 0.00 C ATOM 1814 CG1 ILE A 118 2.600 -7.135 -3.902 1.00 0.00 C ATOM 1815 CG2 ILE A 118 3.826 -4.931 -4.180 1.00 0.00 C ATOM 1816 CD1 ILE A 118 2.693 -7.556 -5.370 1.00 0.00 C ATOM 0 H ILE A 118 3.025 -3.352 -2.694 1.00 0.00 H new ATOM 0 HA ILE A 118 1.060 -5.497 -2.258 1.00 0.00 H new ATOM 0 HB ILE A 118 1.748 -5.272 -4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.470 -7.504 -3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.722 -7.590 -3.444 1.00 0.00 H new ATOM 0 HG21 ILE A 118 4.097 -5.238 -5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 118 3.696 -3.849 -4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.618 -5.219 -3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.750 -8.643 -5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.810 -7.207 -5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.585 -7.119 -5.818 1.00 0.00 H new ATOM 1828 N ALA A 119 2.304 -7.035 -0.801 1.00 0.00 N ATOM 1829 CA ALA A 119 2.928 -7.828 0.245 1.00 0.00 C ATOM 1830 C ALA A 119 4.252 -8.395 -0.271 1.00 0.00 C ATOM 1831 O ALA A 119 5.283 -8.272 0.388 1.00 0.00 O ATOM 1832 CB ALA A 119 1.962 -8.925 0.698 1.00 0.00 C ATOM 0 H ALA A 119 1.412 -7.398 -1.137 1.00 0.00 H new ATOM 0 HA ALA A 119 3.151 -7.209 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.429 -9.520 1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.049 -8.470 1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.718 -9.567 -0.148 1.00 0.00 H new ATOM 1838 N ASP A 120 4.181 -9.003 -1.446 1.00 0.00 N ATOM 1839 CA ASP A 120 5.361 -9.589 -2.058 1.00 0.00 C ATOM 1840 C ASP A 120 6.554 -8.653 -1.853 1.00 0.00 C ATOM 1841 O ASP A 120 7.473 -8.969 -1.099 1.00 0.00 O ATOM 1842 CB ASP A 120 5.164 -9.780 -3.563 1.00 0.00 C ATOM 1843 CG ASP A 120 5.172 -11.235 -4.037 1.00 0.00 C ATOM 1844 OD1 ASP A 120 5.711 -12.074 -3.284 1.00 0.00 O ATOM 1845 OD2 ASP A 120 4.638 -11.475 -5.141 1.00 0.00 O ATOM 0 H ASP A 120 3.324 -9.102 -1.991 1.00 0.00 H new ATOM 0 HA ASP A 120 5.537 -10.558 -1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 120 4.216 -9.325 -3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 120 5.950 -9.238 -4.089 1.00 0.00 H new ATOM 1850 N GLU A 121 6.501 -7.519 -2.537 1.00 0.00 N ATOM 1851 CA GLU A 121 7.566 -6.536 -2.440 1.00 0.00 C ATOM 1852 C GLU A 121 7.889 -6.248 -0.972 1.00 0.00 C ATOM 1853 O GLU A 121 9.051 -6.054 -0.615 1.00 0.00 O ATOM 1854 CB GLU A 121 7.194 -5.250 -3.181 1.00 0.00 C ATOM 1855 CG GLU A 121 6.992 -5.517 -4.674 1.00 0.00 C ATOM 1856 CD GLU A 121 8.304 -5.348 -5.444 1.00 0.00 C ATOM 1857 OE1 GLU A 121 9.176 -6.229 -5.280 1.00 0.00 O ATOM 1858 OE2 GLU A 121 8.406 -4.342 -6.178 1.00 0.00 O ATOM 0 H GLU A 121 5.737 -7.260 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 121 8.457 -6.946 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.282 -4.832 -2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 121 7.979 -4.507 -3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.609 -6.527 -4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.242 -4.833 -5.071 1.00 0.00 H new ATOM 1865 N LEU A 122 6.842 -6.228 -0.161 1.00 0.00 N ATOM 1866 CA LEU A 122 7.000 -5.967 1.259 1.00 0.00 C ATOM 1867 C LEU A 122 7.837 -7.083 1.888 1.00 0.00 C ATOM 1868 O LEU A 122 8.979 -6.859 2.286 1.00 0.00 O ATOM 1869 CB LEU A 122 5.636 -5.773 1.924 1.00 0.00 C ATOM 1870 CG LEU A 122 5.551 -4.657 2.967 1.00 0.00 C ATOM 1871 CD1 LEU A 122 4.101 -4.410 3.389 1.00 0.00 C ATOM 1872 CD2 LEU A 122 6.453 -4.957 4.166 1.00 0.00 C ATOM 0 H LEU A 122 5.880 -6.388 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 122 7.541 -5.034 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 122 4.900 -5.573 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.349 -6.711 2.400 1.00 0.00 H new ATOM 0 HG LEU A 122 5.916 -3.736 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.069 -3.612 4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.513 -4.120 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.687 -5.322 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 122 6.374 -4.148 4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 122 6.142 -5.893 4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.487 -5.044 3.831 1.00 0.00 H new ATOM 1884 N LYS A 123 7.236 -8.262 1.959 1.00 0.00 N ATOM 1885 CA LYS A 123 7.911 -9.413 2.533 1.00 0.00 C ATOM 1886 C LYS A 123 9.358 -9.450 2.037 1.00 0.00 C ATOM 1887 O LYS A 123 10.285 -9.615 2.828 1.00 0.00 O ATOM 1888 CB LYS A 123 7.128 -10.695 2.241 1.00 0.00 C ATOM 1889 CG LYS A 123 7.408 -11.762 3.300 1.00 0.00 C ATOM 1890 CD LYS A 123 6.105 -12.358 3.836 1.00 0.00 C ATOM 1891 CE LYS A 123 5.834 -13.731 3.217 1.00 0.00 C ATOM 1892 NZ LYS A 123 6.367 -14.805 4.084 1.00 0.00 N ATOM 0 H LYS A 123 6.289 -8.445 1.628 1.00 0.00 H new ATOM 0 HA LYS A 123 7.948 -9.330 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.061 -10.475 2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.400 -11.075 1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.024 -12.552 2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 123 7.977 -11.325 4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.162 -12.449 4.921 1.00 0.00 H new ATOM 0 HD3 LYS A 123 5.276 -11.686 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 123 4.762 -13.868 3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 123 6.295 -13.789 2.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 6.328 -15.712 3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 7.353 -14.591 4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 5.795 -14.868 4.950 1.00 0.00 H new ATOM 1906 N PHE A 124 9.505 -9.295 0.729 1.00 0.00 N ATOM 1907 CA PHE A 124 10.824 -9.308 0.118 1.00 0.00 C ATOM 1908 C PHE A 124 11.778 -8.365 0.852 1.00 0.00 C ATOM 1909 O PHE A 124 12.792 -8.801 1.396 1.00 0.00 O ATOM 1910 CB PHE A 124 10.653 -8.822 -1.323 1.00 0.00 C ATOM 1911 CG PHE A 124 11.973 -8.589 -2.061 1.00 0.00 C ATOM 1912 CD1 PHE A 124 12.622 -7.401 -1.934 1.00 0.00 C ATOM 1913 CD2 PHE A 124 12.497 -9.570 -2.844 1.00 0.00 C ATOM 1914 CE1 PHE A 124 13.847 -7.184 -2.619 1.00 0.00 C ATOM 1915 CE2 PHE A 124 13.722 -9.353 -3.529 1.00 0.00 C ATOM 1916 CZ PHE A 124 14.371 -8.165 -3.402 1.00 0.00 C ATOM 0 H PHE A 124 8.733 -9.160 0.076 1.00 0.00 H new ATOM 0 HA PHE A 124 11.245 -10.313 0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.064 -9.554 -1.875 1.00 0.00 H new ATOM 0 HB3 PHE A 124 10.083 -7.893 -1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 124 12.206 -6.622 -1.312 1.00 0.00 H new ATOM 0 HD2 PHE A 124 11.982 -10.514 -2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 124 14.362 -6.240 -2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 124 14.138 -10.132 -4.151 1.00 0.00 H new ATOM 0 HZ PHE A 124 15.303 -8.000 -3.923 1.00 0.00 H new ATOM 1926 N VAL A 125 11.421 -7.089 0.845 1.00 0.00 N ATOM 1927 CA VAL A 125 12.233 -6.080 1.503 1.00 0.00 C ATOM 1928 C VAL A 125 12.261 -6.357 3.008 1.00 0.00 C ATOM 1929 O VAL A 125 13.218 -5.996 3.691 1.00 0.00 O ATOM 1930 CB VAL A 125 11.710 -4.683 1.162 1.00 0.00 C ATOM 1931 CG1 VAL A 125 10.638 -4.240 2.160 1.00 0.00 C ATOM 1932 CG2 VAL A 125 12.854 -3.669 1.102 1.00 0.00 C ATOM 0 H VAL A 125 10.579 -6.731 0.394 1.00 0.00 H new ATOM 0 HA VAL A 125 13.261 -6.124 1.145 1.00 0.00 H new ATOM 0 HB VAL A 125 11.251 -4.729 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 125 10.283 -3.244 1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.804 -4.941 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 125 11.062 -4.219 3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 125 12.455 -2.684 0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 125 13.355 -3.628 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 125 13.568 -3.971 0.336 1.00 0.00 H new ATOM 1942 N ALA A 126 11.201 -6.996 3.480 1.00 0.00 N ATOM 1943 CA ALA A 126 11.092 -7.325 4.891 1.00 0.00 C ATOM 1944 C ALA A 126 12.151 -8.370 5.249 1.00 0.00 C ATOM 1945 O ALA A 126 13.009 -8.126 6.095 1.00 0.00 O ATOM 1946 CB ALA A 126 9.672 -7.805 5.195 1.00 0.00 C ATOM 0 H ALA A 126 10.410 -7.295 2.910 1.00 0.00 H new ATOM 0 HA ALA A 126 11.276 -6.444 5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.590 -8.052 6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 126 8.961 -7.016 4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.451 -8.690 4.598 1.00 0.00 H new ATOM 1952 N SER A 127 12.055 -9.514 4.586 1.00 0.00 N ATOM 1953 CA SER A 127 12.993 -10.597 4.824 1.00 0.00 C ATOM 1954 C SER A 127 14.421 -10.124 4.543 1.00 0.00 C ATOM 1955 O SER A 127 15.303 -10.267 5.388 1.00 0.00 O ATOM 1956 CB SER A 127 12.658 -11.815 3.960 1.00 0.00 C ATOM 1957 OG SER A 127 12.979 -13.039 4.616 1.00 0.00 O ATOM 0 H SER A 127 11.342 -9.714 3.884 1.00 0.00 H new ATOM 0 HA SER A 127 12.915 -10.894 5.870 1.00 0.00 H new ATOM 0 HB2 SER A 127 11.596 -11.803 3.713 1.00 0.00 H new ATOM 0 HB3 SER A 127 13.205 -11.754 3.019 1.00 0.00 H new ATOM 0 HG SER A 127 12.749 -13.793 4.033 1.00 0.00 H new