USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 851 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 62 ASN : amide:sc= -6.45! C(o=-6.3!,f=-12!) USER MOD Set 1.2: A 68 SER OG : rot -177:sc= 0.114 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 177:sc= 0 (180deg=-0.00326) USER MOD Single : A 27 THR OG1 : rot 103:sc= -0.667 USER MOD Single : A 29 CYS SG : rot 180:sc= -0.0123 USER MOD Single : A 33 HIS : no HD1:sc= -14.7! C(o=-15!,f=-15!) USER MOD Single : A 38 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 SER OG : rot 6:sc= 0.885! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.4 K(o=-1.4,f=-3.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.1) USER MOD Single : A 69 TYR OH : rot -130:sc= -1.16 USER MOD Single : A 79 ASN : amide:sc= -12.8! C(o=-13!,f=-14!) USER MOD Single : A 86 THR OG1 : rot -136:sc= -2.54! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 90:sc= -1.53 USER MOD Single : A 91 LYS NZ :NH3+ 153:sc=-0.00154 (180deg=-0.523) USER MOD Single : A 95 THR OG1 : rot -141:sc= -0.48 USER MOD Single : A 97 TYR OH : rot 52:sc= 0.00206 USER MOD Single : A 98 SER OG : rot 67:sc= 1.13 USER MOD Single : A 99 ASN : amide:sc= -5.57! C(o=-5.6!,f=-3.1!) USER MOD Single : A 104 THR OG1 : rot -60:sc= 1.19 USER MOD Single : A 105 LYS NZ :NH3+ -158:sc= 0.366 (180deg=-0.489) USER MOD Single : A 110 SER OG : rot 180:sc=-0.00657 USER MOD Single : A 118 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 9 3.711 12.070 2.999 1.00 0.00 N ATOM 133 CA LEU A 9 3.209 11.605 1.682 1.00 0.00 C ATOM 134 C LEU A 9 4.049 10.423 1.191 1.00 0.00 C ATOM 135 O LEU A 9 5.069 10.598 0.546 1.00 0.00 O ATOM 136 CB LEU A 9 3.351 12.810 0.747 1.00 0.00 C ATOM 137 CG LEU A 9 4.752 13.407 0.879 1.00 0.00 C ATOM 138 CD1 LEU A 9 5.436 13.408 -0.489 1.00 0.00 C ATOM 139 CD2 LEU A 9 4.648 14.844 1.397 1.00 0.00 C ATOM 0 HA LEU A 9 2.176 11.259 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.172 12.505 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.601 13.562 0.992 1.00 0.00 H new ATOM 0 HG LEU A 9 5.337 12.810 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.435 13.834 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.510 12.386 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.851 14.006 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.647 15.270 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.063 15.441 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.160 14.845 2.372 1.00 0.00 H new ATOM 151 N ARG A 10 3.639 9.217 1.495 1.00 0.00 N ATOM 152 CA ARG A 10 4.434 8.039 1.045 1.00 0.00 C ATOM 153 C ARG A 10 3.546 6.808 0.828 1.00 0.00 C ATOM 154 O ARG A 10 2.719 6.464 1.646 1.00 0.00 O ATOM 155 CB ARG A 10 5.425 7.779 2.179 1.00 0.00 C ATOM 156 CG ARG A 10 6.847 8.055 1.689 1.00 0.00 C ATOM 157 CD ARG A 10 7.067 7.370 0.337 1.00 0.00 C ATOM 158 NE ARG A 10 8.153 6.380 0.581 1.00 0.00 N ATOM 159 CZ ARG A 10 9.405 6.753 0.554 1.00 0.00 C ATOM 160 NH1 ARG A 10 9.738 7.968 0.898 1.00 0.00 N ATOM 161 NH2 ARG A 10 10.327 5.906 0.187 1.00 0.00 N ATOM 0 H ARG A 10 2.798 9.001 2.029 1.00 0.00 H new ATOM 0 HA ARG A 10 4.925 8.232 0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.193 8.417 3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.341 6.747 2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.008 9.129 1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.571 7.687 2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.157 6.881 -0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.354 8.091 -0.429 1.00 0.00 H new ATOM 0 HE ARG A 10 7.918 5.406 0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.019 8.631 1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.717 8.254 0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.070 4.955 -0.078 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.305 6.195 0.165 1.00 0.00 H new ATOM 175 N VAL A 11 3.727 6.129 -0.267 1.00 0.00 N ATOM 176 CA VAL A 11 2.905 4.916 -0.535 1.00 0.00 C ATOM 177 C VAL A 11 3.811 3.741 -0.902 1.00 0.00 C ATOM 178 O VAL A 11 4.409 3.719 -1.959 1.00 0.00 O ATOM 179 CB VAL A 11 2.026 5.295 -1.722 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.885 5.975 -2.791 1.00 0.00 C ATOM 181 CG2 VAL A 11 1.399 4.031 -2.309 1.00 0.00 C ATOM 0 H VAL A 11 4.409 6.360 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 11 2.318 4.612 0.332 1.00 0.00 H new ATOM 0 HB VAL A 11 1.241 5.976 -1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.260 6.247 -3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.342 6.873 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.666 5.290 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.770 4.298 -3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.187 3.354 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.793 3.539 -1.549 1.00 0.00 H new ATOM 191 N LEU A 12 3.927 2.766 -0.043 1.00 0.00 N ATOM 192 CA LEU A 12 4.806 1.607 -0.363 1.00 0.00 C ATOM 193 C LEU A 12 3.977 0.445 -0.920 1.00 0.00 C ATOM 194 O LEU A 12 3.463 -0.368 -0.182 1.00 0.00 O ATOM 195 CB LEU A 12 5.450 1.216 0.972 1.00 0.00 C ATOM 196 CG LEU A 12 5.834 2.478 1.749 1.00 0.00 C ATOM 197 CD1 LEU A 12 6.422 2.086 3.103 1.00 0.00 C ATOM 198 CD2 LEU A 12 6.874 3.267 0.953 1.00 0.00 C ATOM 0 H LEU A 12 3.455 2.722 0.860 1.00 0.00 H new ATOM 0 HA LEU A 12 5.551 1.853 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.757 0.613 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.334 0.603 0.795 1.00 0.00 H new ATOM 0 HG LEU A 12 4.947 3.093 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.695 2.985 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.683 1.522 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.309 1.471 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.149 4.166 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.760 2.650 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.456 3.548 -0.014 1.00 0.00 H new ATOM 210 N VAL A 13 3.872 0.334 -2.217 1.00 0.00 N ATOM 211 CA VAL A 13 3.104 -0.807 -2.796 1.00 0.00 C ATOM 212 C VAL A 13 4.105 -1.867 -3.197 1.00 0.00 C ATOM 213 O VAL A 13 5.261 -1.574 -3.428 1.00 0.00 O ATOM 214 CB VAL A 13 2.327 -0.272 -4.003 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.841 1.151 -3.723 1.00 0.00 C ATOM 216 CG2 VAL A 13 3.209 -0.277 -5.250 1.00 0.00 C ATOM 0 H VAL A 13 4.280 0.977 -2.895 1.00 0.00 H new ATOM 0 HA VAL A 13 2.396 -1.244 -2.092 1.00 0.00 H new ATOM 0 HB VAL A 13 1.468 -0.920 -4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.290 1.524 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.189 1.147 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.698 1.797 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.642 0.106 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.081 0.355 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.535 -1.296 -5.461 1.00 0.00 H new ATOM 226 N VAL A 14 3.717 -3.096 -3.229 1.00 0.00 N ATOM 227 CA VAL A 14 4.724 -4.116 -3.550 1.00 0.00 C ATOM 228 C VAL A 14 4.081 -5.463 -3.915 1.00 0.00 C ATOM 229 O VAL A 14 3.001 -5.806 -3.472 1.00 0.00 O ATOM 230 CB VAL A 14 5.515 -4.157 -2.237 1.00 0.00 C ATOM 231 CG1 VAL A 14 5.833 -5.586 -1.814 1.00 0.00 C ATOM 232 CG2 VAL A 14 6.808 -3.349 -2.394 1.00 0.00 C ATOM 0 H VAL A 14 2.771 -3.433 -3.052 1.00 0.00 H new ATOM 0 HA VAL A 14 5.338 -3.898 -4.424 1.00 0.00 H new ATOM 0 HB VAL A 14 4.898 -3.716 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.394 -5.573 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.904 -6.139 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.428 -6.071 -2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.371 -3.378 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.410 -3.778 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.564 -2.315 -2.639 1.00 0.00 H new ATOM 242 N GLU A 15 4.774 -6.221 -4.720 1.00 0.00 N ATOM 243 CA GLU A 15 4.282 -7.560 -5.151 1.00 0.00 C ATOM 244 C GLU A 15 5.397 -8.267 -5.931 1.00 0.00 C ATOM 245 O GLU A 15 6.391 -7.673 -6.265 1.00 0.00 O ATOM 246 CB GLU A 15 3.065 -7.277 -6.032 1.00 0.00 C ATOM 247 CG GLU A 15 3.502 -6.867 -7.442 1.00 0.00 C ATOM 248 CD GLU A 15 3.008 -7.909 -8.444 1.00 0.00 C ATOM 249 OE1 GLU A 15 3.281 -9.080 -8.234 1.00 0.00 O ATOM 250 OE2 GLU A 15 2.363 -7.520 -9.403 1.00 0.00 O ATOM 0 H GLU A 15 5.682 -5.962 -5.106 1.00 0.00 H new ATOM 0 HA GLU A 15 4.009 -8.210 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.434 -8.164 -6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.464 -6.484 -5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.097 -5.886 -7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.588 -6.785 -7.490 1.00 0.00 H new ATOM 257 N ASP A 16 5.262 -9.524 -6.218 1.00 0.00 N ATOM 258 CA ASP A 16 6.350 -10.221 -6.954 1.00 0.00 C ATOM 259 C ASP A 16 6.280 -9.944 -8.455 1.00 0.00 C ATOM 260 O ASP A 16 5.900 -10.795 -9.234 1.00 0.00 O ATOM 261 CB ASP A 16 6.130 -11.700 -6.683 1.00 0.00 C ATOM 262 CG ASP A 16 4.720 -12.091 -7.126 1.00 0.00 C ATOM 263 OD1 ASP A 16 3.938 -11.195 -7.390 1.00 0.00 O ATOM 264 OD2 ASP A 16 4.448 -13.278 -7.198 1.00 0.00 O ATOM 0 H ASP A 16 4.454 -10.098 -5.979 1.00 0.00 H new ATOM 0 HA ASP A 16 7.331 -9.877 -6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.870 -12.294 -7.220 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.262 -11.910 -5.622 1.00 0.00 H new ATOM 269 N GLU A 17 6.663 -8.772 -8.873 1.00 0.00 N ATOM 270 CA GLU A 17 6.633 -8.471 -10.333 1.00 0.00 C ATOM 271 C GLU A 17 7.068 -7.029 -10.614 1.00 0.00 C ATOM 272 O GLU A 17 7.113 -6.198 -9.731 1.00 0.00 O ATOM 273 CB GLU A 17 5.181 -8.693 -10.751 1.00 0.00 C ATOM 274 CG GLU A 17 5.082 -9.954 -11.610 1.00 0.00 C ATOM 275 CD GLU A 17 4.024 -10.887 -11.018 1.00 0.00 C ATOM 276 OE1 GLU A 17 2.931 -10.416 -10.746 1.00 0.00 O ATOM 277 OE2 GLU A 17 4.324 -12.057 -10.846 1.00 0.00 O ATOM 0 H GLU A 17 6.993 -8.014 -8.275 1.00 0.00 H new ATOM 0 HA GLU A 17 7.323 -9.105 -10.890 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.549 -8.791 -9.868 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.817 -7.831 -11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.819 -9.690 -12.634 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.048 -10.458 -11.649 1.00 0.00 H new ATOM 284 N SER A 18 7.392 -6.736 -11.847 1.00 0.00 N ATOM 285 CA SER A 18 7.827 -5.354 -12.208 1.00 0.00 C ATOM 286 C SER A 18 6.619 -4.521 -12.639 1.00 0.00 C ATOM 287 O SER A 18 6.662 -3.307 -12.659 1.00 0.00 O ATOM 288 CB SER A 18 8.792 -5.539 -13.378 1.00 0.00 C ATOM 289 OG SER A 18 9.418 -4.298 -13.673 1.00 0.00 O ATOM 0 H SER A 18 7.374 -7.398 -12.623 1.00 0.00 H new ATOM 0 HA SER A 18 8.294 -4.833 -11.372 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.544 -6.288 -13.129 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.255 -5.905 -14.253 1.00 0.00 H new ATOM 0 HG SER A 18 10.039 -4.415 -14.422 1.00 0.00 H new ATOM 295 N MET A 19 5.535 -5.163 -12.981 1.00 0.00 N ATOM 296 CA MET A 19 4.325 -4.403 -13.404 1.00 0.00 C ATOM 297 C MET A 19 3.931 -3.403 -12.313 1.00 0.00 C ATOM 298 O MET A 19 3.178 -2.480 -12.546 1.00 0.00 O ATOM 299 CB MET A 19 3.235 -5.459 -13.588 1.00 0.00 C ATOM 300 CG MET A 19 2.607 -5.313 -14.977 1.00 0.00 C ATOM 301 SD MET A 19 2.645 -6.910 -15.829 1.00 0.00 S ATOM 302 CE MET A 19 3.962 -6.506 -17.001 1.00 0.00 C ATOM 0 H MET A 19 5.435 -6.178 -12.986 1.00 0.00 H new ATOM 0 HA MET A 19 4.490 -3.832 -14.317 1.00 0.00 H new ATOM 0 HB2 MET A 19 3.658 -6.457 -13.472 1.00 0.00 H new ATOM 0 HB3 MET A 19 2.471 -5.346 -12.819 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.579 -4.961 -14.888 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.150 -4.567 -15.557 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.156 -7.367 -17.641 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.656 -5.659 -17.615 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.869 -6.249 -16.454 1.00 0.00 H new ATOM 312 N ILE A 20 4.437 -3.582 -11.121 1.00 0.00 N ATOM 313 CA ILE A 20 4.095 -2.641 -10.014 1.00 0.00 C ATOM 314 C ILE A 20 5.187 -1.584 -9.854 1.00 0.00 C ATOM 315 O ILE A 20 5.134 -0.747 -8.974 1.00 0.00 O ATOM 316 CB ILE A 20 4.010 -3.509 -8.759 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.597 -2.627 -7.574 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.366 -4.166 -8.469 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.218 -3.507 -6.380 1.00 0.00 C ATOM 0 H ILE A 20 5.072 -4.339 -10.866 1.00 0.00 H new ATOM 0 HA ILE A 20 3.163 -2.109 -10.207 1.00 0.00 H new ATOM 0 HB ILE A 20 3.272 -4.296 -8.914 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.416 -1.961 -7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.754 -1.996 -7.855 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.288 -4.781 -7.572 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.655 -4.791 -9.314 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.119 -3.393 -8.315 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.925 -2.876 -5.541 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.385 -4.154 -6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.073 -4.119 -6.093 1.00 0.00 H new ATOM 331 N ALA A 21 6.175 -1.615 -10.695 1.00 0.00 N ATOM 332 CA ALA A 21 7.271 -0.616 -10.592 1.00 0.00 C ATOM 333 C ALA A 21 6.935 0.621 -11.431 1.00 0.00 C ATOM 334 O ALA A 21 6.433 1.606 -10.926 1.00 0.00 O ATOM 335 CB ALA A 21 8.490 -1.344 -11.146 1.00 0.00 C ATOM 0 H ALA A 21 6.273 -2.291 -11.453 1.00 0.00 H new ATOM 0 HA ALA A 21 7.434 -0.261 -9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.356 -0.683 -11.111 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.687 -2.232 -10.546 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.300 -1.639 -12.178 1.00 0.00 H new ATOM 341 N MET A 22 7.191 0.581 -12.711 1.00 0.00 N ATOM 342 CA MET A 22 6.862 1.764 -13.559 1.00 0.00 C ATOM 343 C MET A 22 5.382 2.097 -13.398 1.00 0.00 C ATOM 344 O MET A 22 4.955 3.215 -13.610 1.00 0.00 O ATOM 345 CB MET A 22 7.178 1.340 -14.993 1.00 0.00 C ATOM 346 CG MET A 22 6.638 2.387 -15.970 1.00 0.00 C ATOM 347 SD MET A 22 8.014 3.343 -16.653 1.00 0.00 S ATOM 348 CE MET A 22 8.556 2.126 -17.877 1.00 0.00 C ATOM 0 H MET A 22 7.609 -0.209 -13.202 1.00 0.00 H new ATOM 0 HA MET A 22 7.429 2.653 -13.283 1.00 0.00 H new ATOM 0 HB2 MET A 22 8.255 1.230 -15.121 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.731 0.368 -15.202 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.086 1.899 -16.774 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.939 3.050 -15.460 1.00 0.00 H new ATOM 0 HE1 MET A 22 9.379 2.539 -18.461 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.890 1.222 -17.368 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.726 1.883 -18.541 1.00 0.00 H new ATOM 358 N LEU A 23 4.605 1.137 -12.987 1.00 0.00 N ATOM 359 CA LEU A 23 3.160 1.390 -12.764 1.00 0.00 C ATOM 360 C LEU A 23 3.012 2.388 -11.611 1.00 0.00 C ATOM 361 O LEU A 23 1.944 2.902 -11.346 1.00 0.00 O ATOM 362 CB LEU A 23 2.594 0.013 -12.395 1.00 0.00 C ATOM 363 CG LEU A 23 1.173 0.133 -11.840 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.220 0.634 -10.394 1.00 0.00 C ATOM 365 CD2 LEU A 23 0.362 1.103 -12.703 1.00 0.00 C ATOM 0 H LEU A 23 4.912 0.183 -12.795 1.00 0.00 H new ATOM 0 HA LEU A 23 2.642 1.815 -13.624 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.591 -0.630 -13.275 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.238 -0.462 -11.655 1.00 0.00 H new ATOM 0 HG LEU A 23 0.696 -0.847 -11.860 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.205 0.717 -10.005 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.786 -0.069 -9.783 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.702 1.611 -10.363 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.649 1.186 -12.305 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.838 2.084 -12.693 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.319 0.731 -13.727 1.00 0.00 H new ATOM 377 N ILE A 24 4.093 2.664 -10.925 1.00 0.00 N ATOM 378 CA ILE A 24 4.042 3.622 -9.791 1.00 0.00 C ATOM 379 C ILE A 24 4.613 4.983 -10.218 1.00 0.00 C ATOM 380 O ILE A 24 4.007 6.013 -10.002 1.00 0.00 O ATOM 381 CB ILE A 24 4.893 2.960 -8.694 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.253 3.241 -7.335 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.330 3.496 -8.696 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.363 2.001 -6.453 1.00 0.00 C ATOM 0 H ILE A 24 5.012 2.261 -11.107 1.00 0.00 H new ATOM 0 HA ILE A 24 3.028 3.822 -9.444 1.00 0.00 H new ATOM 0 HB ILE A 24 4.932 1.888 -8.888 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.748 4.086 -6.856 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.206 3.516 -7.464 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.902 3.006 -7.908 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.793 3.292 -9.661 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.317 4.572 -8.520 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.906 2.202 -5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.848 1.168 -6.931 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.413 1.746 -6.313 1.00 0.00 H new ATOM 396 N GLU A 25 5.774 4.995 -10.823 1.00 0.00 N ATOM 397 CA GLU A 25 6.369 6.294 -11.258 1.00 0.00 C ATOM 398 C GLU A 25 5.298 7.146 -11.931 1.00 0.00 C ATOM 399 O GLU A 25 5.332 8.361 -11.892 1.00 0.00 O ATOM 400 CB GLU A 25 7.467 5.926 -12.256 1.00 0.00 C ATOM 401 CG GLU A 25 8.734 5.523 -11.496 1.00 0.00 C ATOM 402 CD GLU A 25 9.952 6.193 -12.136 1.00 0.00 C ATOM 403 OE1 GLU A 25 9.756 7.063 -12.969 1.00 0.00 O ATOM 404 OE2 GLU A 25 11.060 5.824 -11.783 1.00 0.00 O ATOM 0 H GLU A 25 6.332 4.167 -11.033 1.00 0.00 H new ATOM 0 HA GLU A 25 6.767 6.869 -10.422 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.135 5.105 -12.892 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.676 6.772 -12.911 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.652 5.818 -10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.851 4.439 -11.513 1.00 0.00 H new ATOM 411 N ASP A 26 4.338 6.512 -12.538 1.00 0.00 N ATOM 412 CA ASP A 26 3.251 7.272 -13.203 1.00 0.00 C ATOM 413 C ASP A 26 2.211 7.678 -12.154 1.00 0.00 C ATOM 414 O ASP A 26 1.819 8.825 -12.066 1.00 0.00 O ATOM 415 CB ASP A 26 2.684 6.296 -14.245 1.00 0.00 C ATOM 416 CG ASP A 26 1.552 5.458 -13.641 1.00 0.00 C ATOM 417 OD1 ASP A 26 1.846 4.404 -13.104 1.00 0.00 O ATOM 418 OD2 ASP A 26 0.413 5.884 -13.729 1.00 0.00 O ATOM 0 H ASP A 26 4.260 5.497 -12.602 1.00 0.00 H new ATOM 0 HA ASP A 26 3.581 8.196 -13.679 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.313 6.851 -15.107 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.476 5.640 -14.606 1.00 0.00 H new ATOM 423 N THR A 27 1.783 6.753 -11.337 1.00 0.00 N ATOM 424 CA THR A 27 0.800 7.104 -10.282 1.00 0.00 C ATOM 425 C THR A 27 1.444 8.110 -9.332 1.00 0.00 C ATOM 426 O THR A 27 0.842 9.089 -8.941 1.00 0.00 O ATOM 427 CB THR A 27 0.495 5.797 -9.564 1.00 0.00 C ATOM 428 OG1 THR A 27 -0.177 4.913 -10.452 1.00 0.00 O ATOM 429 CG2 THR A 27 -0.386 6.072 -8.346 1.00 0.00 C ATOM 0 H THR A 27 2.072 5.775 -11.357 1.00 0.00 H new ATOM 0 HA THR A 27 -0.111 7.553 -10.677 1.00 0.00 H new ATOM 0 HB THR A 27 1.428 5.339 -9.235 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.453 4.237 -10.780 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.602 5.134 -7.834 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.135 6.745 -7.665 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.319 6.533 -8.669 1.00 0.00 H new ATOM 437 N LEU A 28 2.684 7.885 -8.980 1.00 0.00 N ATOM 438 CA LEU A 28 3.386 8.840 -8.080 1.00 0.00 C ATOM 439 C LEU A 28 3.425 10.212 -8.750 1.00 0.00 C ATOM 440 O LEU A 28 3.255 11.233 -8.113 1.00 0.00 O ATOM 441 CB LEU A 28 4.798 8.276 -7.920 1.00 0.00 C ATOM 442 CG LEU A 28 5.669 9.283 -7.166 1.00 0.00 C ATOM 443 CD1 LEU A 28 6.548 8.543 -6.158 1.00 0.00 C ATOM 444 CD2 LEU A 28 6.560 10.033 -8.158 1.00 0.00 C ATOM 0 H LEU A 28 3.237 7.082 -9.278 1.00 0.00 H new ATOM 0 HA LEU A 28 2.895 8.956 -7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.764 7.331 -7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.230 8.067 -8.899 1.00 0.00 H new ATOM 0 HG LEU A 28 5.029 9.993 -6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.169 9.260 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.917 8.007 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.186 7.833 -6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.180 10.750 -7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.199 9.322 -8.682 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.937 10.562 -8.879 1.00 0.00 H new ATOM 456 N CYS A 29 3.630 10.239 -10.040 1.00 0.00 N ATOM 457 CA CYS A 29 3.658 11.541 -10.757 1.00 0.00 C ATOM 458 C CYS A 29 2.458 12.377 -10.291 1.00 0.00 C ATOM 459 O CYS A 29 2.515 13.589 -10.217 1.00 0.00 O ATOM 460 CB CYS A 29 3.592 11.161 -12.255 1.00 0.00 C ATOM 461 SG CYS A 29 2.189 11.950 -13.100 1.00 0.00 S ATOM 0 H CYS A 29 3.779 9.416 -10.625 1.00 0.00 H new ATOM 0 HA CYS A 29 4.544 12.147 -10.565 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.521 11.455 -12.744 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.510 10.078 -12.351 1.00 0.00 H new ATOM 0 HG CYS A 29 2.183 11.599 -14.352 1.00 0.00 H new ATOM 467 N GLU A 30 1.375 11.720 -9.972 1.00 0.00 N ATOM 468 CA GLU A 30 0.162 12.439 -9.501 1.00 0.00 C ATOM 469 C GLU A 30 0.316 12.825 -8.027 1.00 0.00 C ATOM 470 O GLU A 30 0.135 13.966 -7.651 1.00 0.00 O ATOM 471 CB GLU A 30 -0.979 11.430 -9.673 1.00 0.00 C ATOM 472 CG GLU A 30 -2.286 12.033 -9.153 1.00 0.00 C ATOM 473 CD GLU A 30 -3.272 12.198 -10.313 1.00 0.00 C ATOM 474 OE1 GLU A 30 -2.872 12.736 -11.333 1.00 0.00 O ATOM 475 OE2 GLU A 30 -4.409 11.784 -10.161 1.00 0.00 O ATOM 0 H GLU A 30 1.281 10.705 -10.019 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.016 13.361 -10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.084 11.162 -10.724 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.750 10.512 -9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.716 11.389 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.093 12.999 -8.686 1.00 0.00 H new ATOM 482 N LEU A 31 0.645 11.878 -7.189 1.00 0.00 N ATOM 483 CA LEU A 31 0.805 12.185 -5.737 1.00 0.00 C ATOM 484 C LEU A 31 2.056 13.027 -5.495 1.00 0.00 C ATOM 485 O LEU A 31 2.118 13.810 -4.568 1.00 0.00 O ATOM 486 CB LEU A 31 0.994 10.831 -5.051 1.00 0.00 C ATOM 487 CG LEU A 31 -0.214 9.931 -5.289 1.00 0.00 C ATOM 488 CD1 LEU A 31 0.277 8.508 -5.572 1.00 0.00 C ATOM 489 CD2 LEU A 31 -1.088 9.926 -4.034 1.00 0.00 C ATOM 0 H LEU A 31 0.810 10.905 -7.447 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.054 12.740 -5.361 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.894 10.348 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.139 10.977 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.793 10.297 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.579 7.855 -5.744 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.914 8.512 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.846 8.143 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.954 9.284 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.510 9.549 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.423 10.941 -3.820 1.00 0.00 H new ATOM 501 N GLY A 32 3.071 12.837 -6.289 1.00 0.00 N ATOM 502 CA GLY A 32 4.331 13.590 -6.059 1.00 0.00 C ATOM 503 C GLY A 32 5.015 12.982 -4.831 1.00 0.00 C ATOM 504 O GLY A 32 5.942 13.538 -4.276 1.00 0.00 O ATOM 0 H GLY A 32 3.082 12.196 -7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.981 13.524 -6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.121 14.647 -5.897 1.00 0.00 H new ATOM 508 N HIS A 33 4.548 11.833 -4.408 1.00 0.00 N ATOM 509 CA HIS A 33 5.138 11.159 -3.219 1.00 0.00 C ATOM 510 C HIS A 33 6.660 11.257 -3.244 1.00 0.00 C ATOM 511 O HIS A 33 7.255 11.603 -4.245 1.00 0.00 O ATOM 512 CB HIS A 33 4.703 9.700 -3.354 1.00 0.00 C ATOM 513 CG HIS A 33 3.360 9.511 -2.709 1.00 0.00 C ATOM 514 ND1 HIS A 33 2.421 8.625 -3.208 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.788 10.077 -1.599 1.00 0.00 C ATOM 516 CE1 HIS A 33 1.344 8.679 -2.404 1.00 0.00 C ATOM 517 NE2 HIS A 33 1.515 9.551 -1.407 1.00 0.00 N ATOM 0 H HIS A 33 3.774 11.331 -4.844 1.00 0.00 H new ATOM 0 HA HIS A 33 4.810 11.612 -2.284 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.654 9.421 -4.407 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.438 9.046 -2.884 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.255 10.819 -0.969 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.450 8.089 -2.547 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.854 9.781 -0.665 1.00 0.00 H new ATOM 525 N GLU A 34 7.297 10.945 -2.152 1.00 0.00 N ATOM 526 CA GLU A 34 8.783 11.010 -2.122 1.00 0.00 C ATOM 527 C GLU A 34 9.369 9.830 -2.904 1.00 0.00 C ATOM 528 O GLU A 34 9.932 9.995 -3.967 1.00 0.00 O ATOM 529 CB GLU A 34 9.150 10.911 -0.642 1.00 0.00 C ATOM 530 CG GLU A 34 10.641 11.200 -0.465 1.00 0.00 C ATOM 531 CD GLU A 34 10.906 12.683 -0.728 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.544 13.487 0.116 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.461 12.991 -1.770 1.00 0.00 O ATOM 0 H GLU A 34 6.855 10.649 -1.282 1.00 0.00 H new ATOM 0 HA GLU A 34 9.173 11.921 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.560 11.621 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.914 9.916 -0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.956 10.936 0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.225 10.588 -1.152 1.00 0.00 H new ATOM 540 N VAL A 35 9.222 8.640 -2.385 1.00 0.00 N ATOM 541 CA VAL A 35 9.754 7.433 -3.083 1.00 0.00 C ATOM 542 C VAL A 35 8.823 6.249 -2.816 1.00 0.00 C ATOM 543 O VAL A 35 8.930 5.586 -1.805 1.00 0.00 O ATOM 544 CB VAL A 35 11.132 7.179 -2.457 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.580 5.745 -2.757 1.00 0.00 C ATOM 546 CG2 VAL A 35 12.158 8.154 -3.041 1.00 0.00 C ATOM 0 H VAL A 35 8.752 8.451 -1.500 1.00 0.00 H new ATOM 0 HA VAL A 35 9.823 7.567 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 35 11.061 7.325 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.559 5.569 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.859 5.043 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.642 5.601 -3.836 1.00 0.00 H new ATOM 0 HG21 VAL A 35 13.134 7.968 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.222 8.012 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.850 9.178 -2.828 1.00 0.00 H new ATOM 556 N ALA A 36 7.905 5.980 -3.702 1.00 0.00 N ATOM 557 CA ALA A 36 6.975 4.842 -3.468 1.00 0.00 C ATOM 558 C ALA A 36 7.750 3.523 -3.455 1.00 0.00 C ATOM 559 O ALA A 36 8.951 3.495 -3.636 1.00 0.00 O ATOM 560 CB ALA A 36 5.995 4.870 -4.642 1.00 0.00 C ATOM 0 H ALA A 36 7.759 6.494 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 36 6.462 4.925 -2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.277 4.056 -4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.465 5.822 -4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.543 4.751 -5.577 1.00 0.00 H new ATOM 566 N ALA A 37 7.067 2.430 -3.259 1.00 0.00 N ATOM 567 CA ALA A 37 7.756 1.107 -3.253 1.00 0.00 C ATOM 568 C ALA A 37 7.134 0.214 -4.321 1.00 0.00 C ATOM 569 O ALA A 37 5.969 0.316 -4.608 1.00 0.00 O ATOM 570 CB ALA A 37 7.502 0.513 -1.869 1.00 0.00 C ATOM 0 H ALA A 37 6.060 2.394 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 37 8.822 1.197 -3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.983 -0.463 -1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.912 1.176 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.429 0.401 -1.712 1.00 0.00 H new ATOM 576 N THR A 38 7.897 -0.657 -4.909 1.00 0.00 N ATOM 577 CA THR A 38 7.334 -1.554 -5.956 1.00 0.00 C ATOM 578 C THR A 38 8.033 -2.919 -5.930 1.00 0.00 C ATOM 579 O THR A 38 9.210 -3.021 -5.646 1.00 0.00 O ATOM 580 CB THR A 38 7.614 -0.844 -7.278 1.00 0.00 C ATOM 581 OG1 THR A 38 9.006 -0.904 -7.560 1.00 0.00 O ATOM 582 CG2 THR A 38 7.175 0.613 -7.178 1.00 0.00 C ATOM 0 H THR A 38 8.889 -0.789 -4.712 1.00 0.00 H new ATOM 0 HA THR A 38 6.271 -1.740 -5.803 1.00 0.00 H new ATOM 0 HB THR A 38 7.059 -1.333 -8.079 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.212 -0.319 -8.319 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.375 1.119 -8.122 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.108 0.657 -6.962 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.728 1.106 -6.378 1.00 0.00 H new ATOM 590 N ALA A 39 7.294 -3.961 -6.209 1.00 0.00 N ATOM 591 CA ALA A 39 7.852 -5.354 -6.201 1.00 0.00 C ATOM 592 C ALA A 39 7.876 -5.863 -4.772 1.00 0.00 C ATOM 593 O ALA A 39 7.780 -5.104 -3.843 1.00 0.00 O ATOM 594 CB ALA A 39 9.271 -5.290 -6.750 1.00 0.00 C ATOM 0 H ALA A 39 6.304 -3.907 -6.448 1.00 0.00 H new ATOM 0 HA ALA A 39 7.244 -6.024 -6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.704 -6.290 -6.757 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.250 -4.897 -7.766 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.876 -4.637 -6.121 1.00 0.00 H new ATOM 600 N SER A 40 7.974 -7.132 -4.574 1.00 0.00 N ATOM 601 CA SER A 40 7.967 -7.634 -3.176 1.00 0.00 C ATOM 602 C SER A 40 9.377 -7.696 -2.595 1.00 0.00 C ATOM 603 O SER A 40 10.197 -8.506 -2.980 1.00 0.00 O ATOM 604 CB SER A 40 7.303 -9.000 -3.245 1.00 0.00 C ATOM 605 OG SER A 40 8.241 -9.969 -3.693 1.00 0.00 O ATOM 0 H SER A 40 8.058 -7.841 -5.302 1.00 0.00 H new ATOM 0 HA SER A 40 7.423 -6.969 -2.506 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.920 -9.278 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.450 -8.966 -3.922 1.00 0.00 H new ATOM 0 HG SER A 40 9.126 -9.556 -3.771 1.00 0.00 H new ATOM 611 N ARG A 41 9.651 -6.825 -1.656 1.00 0.00 N ATOM 612 CA ARG A 41 10.988 -6.791 -1.016 1.00 0.00 C ATOM 613 C ARG A 41 10.841 -6.926 0.504 1.00 0.00 C ATOM 614 O ARG A 41 10.207 -6.112 1.146 1.00 0.00 O ATOM 615 CB ARG A 41 11.565 -5.417 -1.363 1.00 0.00 C ATOM 616 CG ARG A 41 13.088 -5.519 -1.477 1.00 0.00 C ATOM 617 CD ARG A 41 13.466 -6.122 -2.833 1.00 0.00 C ATOM 618 NE ARG A 41 14.955 -6.159 -2.834 1.00 0.00 N ATOM 619 CZ ARG A 41 15.629 -5.297 -3.544 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.290 -5.063 -4.782 1.00 0.00 N ATOM 621 NH2 ARG A 41 16.644 -4.668 -3.017 1.00 0.00 N ATOM 0 H ARG A 41 8.992 -6.130 -1.306 1.00 0.00 H new ATOM 0 HA ARG A 41 11.628 -7.603 -1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.142 -5.059 -2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.295 -4.692 -0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.537 -4.532 -1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.482 -6.138 -0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.046 -7.121 -2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.085 -5.516 -3.655 1.00 0.00 H new ATOM 0 HE ARG A 41 15.448 -6.859 -2.279 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.497 -5.554 -5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.818 -4.389 -5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.911 -4.850 -2.049 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.171 -3.994 -3.573 1.00 0.00 H new ATOM 635 N MET A 42 11.418 -7.939 1.086 1.00 0.00 N ATOM 636 CA MET A 42 11.302 -8.105 2.562 1.00 0.00 C ATOM 637 C MET A 42 11.858 -6.867 3.271 1.00 0.00 C ATOM 638 O MET A 42 11.430 -6.512 4.351 1.00 0.00 O ATOM 639 CB MET A 42 12.136 -9.342 2.888 1.00 0.00 C ATOM 640 CG MET A 42 11.377 -10.592 2.440 1.00 0.00 C ATOM 641 SD MET A 42 12.204 -12.065 3.091 1.00 0.00 S ATOM 642 CE MET A 42 12.003 -13.103 1.624 1.00 0.00 C ATOM 0 H MET A 42 11.962 -8.656 0.607 1.00 0.00 H new ATOM 0 HA MET A 42 10.269 -8.220 2.891 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.101 -9.288 2.384 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.337 -9.388 3.958 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.347 -10.553 2.796 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.337 -10.636 1.352 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.450 -14.080 1.806 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.942 -13.224 1.407 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.496 -12.631 0.774 1.00 0.00 H new ATOM 652 N GLN A 43 12.800 -6.200 2.662 1.00 0.00 N ATOM 653 CA GLN A 43 13.375 -4.977 3.290 1.00 0.00 C ATOM 654 C GLN A 43 12.360 -3.834 3.207 1.00 0.00 C ATOM 655 O GLN A 43 11.876 -3.349 4.211 1.00 0.00 O ATOM 656 CB GLN A 43 14.625 -4.662 2.464 1.00 0.00 C ATOM 657 CG GLN A 43 15.247 -3.346 2.940 1.00 0.00 C ATOM 658 CD GLN A 43 15.725 -2.544 1.727 1.00 0.00 C ATOM 659 OE1 GLN A 43 15.079 -2.539 0.697 1.00 0.00 O ATOM 660 NE2 GLN A 43 16.837 -1.863 1.802 1.00 0.00 N ATOM 0 H GLN A 43 13.196 -6.449 1.756 1.00 0.00 H new ATOM 0 HA GLN A 43 13.616 -5.114 4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.348 -5.472 2.560 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.365 -4.590 1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.516 -2.769 3.507 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.083 -3.547 3.610 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.380 -1.866 2.666 1.00 0.00 H new ATOM 0 HE22 GLN A 43 17.163 -1.328 0.997 1.00 0.00 H new ATOM 669 N GLU A 44 12.026 -3.406 2.019 1.00 0.00 N ATOM 670 CA GLU A 44 11.036 -2.302 1.875 1.00 0.00 C ATOM 671 C GLU A 44 9.693 -2.715 2.490 1.00 0.00 C ATOM 672 O GLU A 44 9.080 -1.965 3.224 1.00 0.00 O ATOM 673 CB GLU A 44 10.888 -2.083 0.369 1.00 0.00 C ATOM 674 CG GLU A 44 12.179 -1.485 -0.195 1.00 0.00 C ATOM 675 CD GLU A 44 12.375 -1.962 -1.636 1.00 0.00 C ATOM 676 OE1 GLU A 44 11.402 -1.971 -2.373 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.493 -2.309 -1.977 1.00 0.00 O ATOM 0 H GLU A 44 12.396 -3.774 1.143 1.00 0.00 H new ATOM 0 HA GLU A 44 11.358 -1.394 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.668 -3.029 -0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.049 -1.416 0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.132 -0.396 -0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.029 -1.785 0.418 1.00 0.00 H new ATOM 684 N ALA A 45 9.231 -3.903 2.203 1.00 0.00 N ATOM 685 CA ALA A 45 7.931 -4.347 2.786 1.00 0.00 C ATOM 686 C ALA A 45 7.905 -4.006 4.277 1.00 0.00 C ATOM 687 O ALA A 45 6.968 -3.420 4.776 1.00 0.00 O ATOM 688 CB ALA A 45 7.891 -5.861 2.573 1.00 0.00 C ATOM 0 H ALA A 45 9.693 -4.580 1.596 1.00 0.00 H new ATOM 0 HA ALA A 45 7.072 -3.860 2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.961 -6.261 2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.947 -6.080 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.737 -6.323 3.083 1.00 0.00 H new ATOM 694 N LEU A 46 8.941 -4.352 4.984 1.00 0.00 N ATOM 695 CA LEU A 46 8.999 -4.032 6.436 1.00 0.00 C ATOM 696 C LEU A 46 8.731 -2.542 6.647 1.00 0.00 C ATOM 697 O LEU A 46 7.985 -2.145 7.520 1.00 0.00 O ATOM 698 CB LEU A 46 10.430 -4.370 6.836 1.00 0.00 C ATOM 699 CG LEU A 46 10.743 -3.738 8.189 1.00 0.00 C ATOM 700 CD1 LEU A 46 11.629 -4.685 8.994 1.00 0.00 C ATOM 701 CD2 LEU A 46 11.468 -2.411 7.968 1.00 0.00 C ATOM 0 H LEU A 46 9.755 -4.845 4.617 1.00 0.00 H new ATOM 0 HA LEU A 46 8.261 -4.580 7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.558 -5.451 6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.126 -4.003 6.082 1.00 0.00 H new ATOM 0 HG LEU A 46 9.818 -3.557 8.737 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.855 -4.237 9.962 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.108 -5.631 9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.557 -4.864 8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.694 -1.955 8.932 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.396 -2.589 7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.832 -1.741 7.390 1.00 0.00 H new ATOM 713 N ASP A 47 9.347 -1.715 5.850 1.00 0.00 N ATOM 714 CA ASP A 47 9.150 -0.246 5.991 1.00 0.00 C ATOM 715 C ASP A 47 7.667 0.122 5.862 1.00 0.00 C ATOM 716 O ASP A 47 7.239 1.163 6.317 1.00 0.00 O ATOM 717 CB ASP A 47 9.958 0.372 4.851 1.00 0.00 C ATOM 718 CG ASP A 47 11.311 0.848 5.384 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.973 0.065 6.046 1.00 0.00 O ATOM 720 OD2 ASP A 47 11.662 1.986 5.121 1.00 0.00 O ATOM 0 H ASP A 47 9.982 -1.995 5.103 1.00 0.00 H new ATOM 0 HA ASP A 47 9.473 0.115 6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.105 -0.360 4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.412 1.209 4.416 1.00 0.00 H new ATOM 725 N ILE A 48 6.877 -0.716 5.245 1.00 0.00 N ATOM 726 CA ILE A 48 5.430 -0.391 5.099 1.00 0.00 C ATOM 727 C ILE A 48 4.632 -1.007 6.249 1.00 0.00 C ATOM 728 O ILE A 48 3.676 -0.439 6.717 1.00 0.00 O ATOM 729 CB ILE A 48 4.976 -0.970 3.738 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.337 -2.356 3.921 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.165 -1.086 2.789 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.163 -3.029 2.555 1.00 0.00 C ATOM 0 H ILE A 48 7.169 -1.605 4.839 1.00 0.00 H new ATOM 0 HA ILE A 48 5.262 0.685 5.131 1.00 0.00 H new ATOM 0 HB ILE A 48 4.236 -0.291 3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.963 -2.974 4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.370 -2.259 4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.831 -1.495 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.600 -0.100 2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.915 -1.747 3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.710 -4.011 2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.519 -2.415 1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.137 -3.140 2.078 1.00 0.00 H new ATOM 744 N ALA A 49 5.007 -2.171 6.700 1.00 0.00 N ATOM 745 CA ALA A 49 4.248 -2.807 7.805 1.00 0.00 C ATOM 746 C ALA A 49 4.874 -2.461 9.155 1.00 0.00 C ATOM 747 O ALA A 49 4.292 -1.773 9.969 1.00 0.00 O ATOM 748 CB ALA A 49 4.342 -4.308 7.536 1.00 0.00 C ATOM 0 H ALA A 49 5.803 -2.705 6.351 1.00 0.00 H new ATOM 0 HA ALA A 49 3.215 -2.463 7.844 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.803 -4.851 8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.901 -4.532 6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.388 -4.613 7.539 1.00 0.00 H new ATOM 754 N ARG A 50 6.055 -2.944 9.393 1.00 0.00 N ATOM 755 CA ARG A 50 6.738 -2.662 10.686 1.00 0.00 C ATOM 756 C ARG A 50 6.746 -1.159 10.972 1.00 0.00 C ATOM 757 O ARG A 50 6.651 -0.735 12.106 1.00 0.00 O ATOM 758 CB ARG A 50 8.158 -3.186 10.490 1.00 0.00 C ATOM 759 CG ARG A 50 8.093 -4.616 9.943 1.00 0.00 C ATOM 760 CD ARG A 50 9.067 -5.507 10.710 1.00 0.00 C ATOM 761 NE ARG A 50 8.521 -5.564 12.097 1.00 0.00 N ATOM 762 CZ ARG A 50 8.813 -6.572 12.874 1.00 0.00 C ATOM 763 NH1 ARG A 50 8.122 -7.677 12.800 1.00 0.00 N ATOM 764 NH2 ARG A 50 9.797 -6.474 13.727 1.00 0.00 N ATOM 0 H ARG A 50 6.584 -3.527 8.744 1.00 0.00 H new ATOM 0 HA ARG A 50 6.239 -3.132 11.533 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.704 -2.544 9.799 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.699 -3.169 11.436 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.079 -5.005 10.036 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.340 -4.621 8.881 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.126 -6.501 10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.075 -5.093 10.699 1.00 0.00 H new ATOM 0 HE ARG A 50 7.919 -4.815 12.439 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.353 -7.754 12.135 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.351 -8.464 13.408 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.337 -5.611 13.786 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.026 -7.261 14.334 1.00 0.00 H new ATOM 778 N LYS A 51 6.857 -0.349 9.957 1.00 0.00 N ATOM 779 CA LYS A 51 6.866 1.122 10.184 1.00 0.00 C ATOM 780 C LYS A 51 5.613 1.537 10.959 1.00 0.00 C ATOM 781 O LYS A 51 5.671 2.328 11.879 1.00 0.00 O ATOM 782 CB LYS A 51 6.868 1.739 8.789 1.00 0.00 C ATOM 783 CG LYS A 51 6.681 3.248 8.909 1.00 0.00 C ATOM 784 CD LYS A 51 7.873 3.850 9.657 1.00 0.00 C ATOM 785 CE LYS A 51 8.495 4.968 8.814 1.00 0.00 C ATOM 786 NZ LYS A 51 9.890 4.520 8.542 1.00 0.00 N ATOM 0 H LYS A 51 6.942 -0.641 8.983 1.00 0.00 H new ATOM 0 HA LYS A 51 7.726 1.448 10.769 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.806 1.516 8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.069 1.308 8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.596 3.695 7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.755 3.470 9.439 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.550 4.244 10.621 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.615 3.078 9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.941 5.117 7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.483 5.918 9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.379 5.236 7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.396 4.393 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.870 3.617 8.026 1.00 0.00 H new ATOM 800 N GLY A 52 4.482 0.997 10.597 1.00 0.00 N ATOM 801 CA GLY A 52 3.222 1.340 11.316 1.00 0.00 C ATOM 802 C GLY A 52 2.790 2.771 10.986 1.00 0.00 C ATOM 803 O GLY A 52 1.695 3.003 10.514 1.00 0.00 O ATOM 0 H GLY A 52 4.376 0.331 9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.434 0.642 11.034 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.370 1.237 12.391 1.00 0.00 H new ATOM 807 N GLN A 53 3.631 3.735 11.245 1.00 0.00 N ATOM 808 CA GLN A 53 3.250 5.149 10.962 1.00 0.00 C ATOM 809 C GLN A 53 3.370 5.462 9.469 1.00 0.00 C ATOM 810 O GLN A 53 3.097 6.565 9.038 1.00 0.00 O ATOM 811 CB GLN A 53 4.229 5.999 11.771 1.00 0.00 C ATOM 812 CG GLN A 53 5.593 6.017 11.078 1.00 0.00 C ATOM 813 CD GLN A 53 6.657 6.510 12.062 1.00 0.00 C ATOM 814 OE1 GLN A 53 7.425 5.727 12.585 1.00 0.00 O ATOM 815 NE2 GLN A 53 6.737 7.784 12.337 1.00 0.00 N ATOM 0 H GLN A 53 4.563 3.606 11.639 1.00 0.00 H new ATOM 0 HA GLN A 53 2.214 5.348 11.235 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.847 7.015 11.870 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.328 5.596 12.779 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.846 5.018 10.722 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.561 6.668 10.204 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.093 8.442 11.898 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.444 8.121 12.990 1.00 0.00 H new ATOM 824 N PHE A 54 3.769 4.512 8.668 1.00 0.00 N ATOM 825 CA PHE A 54 3.884 4.797 7.213 1.00 0.00 C ATOM 826 C PHE A 54 2.543 5.294 6.686 1.00 0.00 C ATOM 827 O PHE A 54 1.615 5.519 7.437 1.00 0.00 O ATOM 828 CB PHE A 54 4.314 3.486 6.542 1.00 0.00 C ATOM 829 CG PHE A 54 3.190 2.474 6.521 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.798 1.826 7.699 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.565 2.155 5.311 1.00 0.00 C ATOM 832 CE1 PHE A 54 1.785 0.865 7.666 1.00 0.00 C ATOM 833 CE2 PHE A 54 1.549 1.196 5.284 1.00 0.00 C ATOM 834 CZ PHE A 54 1.161 0.549 6.458 1.00 0.00 C ATOM 0 H PHE A 54 4.017 3.565 8.954 1.00 0.00 H new ATOM 0 HA PHE A 54 4.616 5.576 7.002 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.640 3.689 5.522 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.170 3.069 7.073 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.280 2.070 8.634 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.867 2.649 4.399 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.484 0.366 8.576 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.062 0.955 4.351 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.379 -0.195 6.432 1.00 0.00 H new ATOM 844 N ASP A 55 2.434 5.490 5.409 1.00 0.00 N ATOM 845 CA ASP A 55 1.154 6.000 4.850 1.00 0.00 C ATOM 846 C ASP A 55 0.357 4.871 4.202 1.00 0.00 C ATOM 847 O ASP A 55 -0.765 4.628 4.571 1.00 0.00 O ATOM 848 CB ASP A 55 1.555 7.040 3.808 1.00 0.00 C ATOM 849 CG ASP A 55 1.114 8.431 4.268 1.00 0.00 C ATOM 850 OD1 ASP A 55 1.827 9.027 5.059 1.00 0.00 O ATOM 851 OD2 ASP A 55 0.072 8.878 3.819 1.00 0.00 O ATOM 0 H ASP A 55 3.172 5.321 4.726 1.00 0.00 H new ATOM 0 HA ASP A 55 0.517 6.425 5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.635 7.021 3.659 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.097 6.802 2.848 1.00 0.00 H new ATOM 856 N ILE A 56 0.919 4.187 3.236 1.00 0.00 N ATOM 857 CA ILE A 56 0.157 3.075 2.570 1.00 0.00 C ATOM 858 C ILE A 56 1.058 1.856 2.328 1.00 0.00 C ATOM 859 O ILE A 56 2.266 1.972 2.285 1.00 0.00 O ATOM 860 CB ILE A 56 -0.318 3.659 1.239 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.435 4.679 1.500 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.846 2.527 0.352 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.216 4.940 0.207 1.00 0.00 C ATOM 0 H ILE A 56 1.862 4.345 2.880 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.671 2.729 3.189 1.00 0.00 H new ATOM 0 HB ILE A 56 0.512 4.156 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.107 4.305 2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.009 5.611 1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.186 2.938 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.050 1.805 0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.678 2.031 0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.007 5.665 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.541 5.333 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.656 4.008 -0.147 1.00 0.00 H new ATOM 875 N ALA A 57 0.483 0.677 2.187 1.00 0.00 N ATOM 876 CA ALA A 57 1.335 -0.536 1.968 1.00 0.00 C ATOM 877 C ALA A 57 0.574 -1.606 1.185 1.00 0.00 C ATOM 878 O ALA A 57 -0.494 -2.024 1.576 1.00 0.00 O ATOM 879 CB ALA A 57 1.650 -1.054 3.367 1.00 0.00 C ATOM 0 H ALA A 57 -0.523 0.508 2.214 1.00 0.00 H new ATOM 0 HA ALA A 57 2.230 -0.296 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.273 -1.945 3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.181 -0.285 3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.721 -1.302 3.881 1.00 0.00 H new ATOM 885 N ILE A 58 1.108 -2.069 0.087 1.00 0.00 N ATOM 886 CA ILE A 58 0.373 -3.112 -0.680 1.00 0.00 C ATOM 887 C ILE A 58 1.278 -4.279 -1.087 1.00 0.00 C ATOM 888 O ILE A 58 1.879 -4.269 -2.138 1.00 0.00 O ATOM 889 CB ILE A 58 -0.131 -2.394 -1.930 1.00 0.00 C ATOM 890 CG1 ILE A 58 -1.243 -1.418 -1.547 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.675 -3.423 -2.923 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.620 -0.109 -1.064 1.00 0.00 C ATOM 0 H ILE A 58 2.003 -1.777 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.426 -3.545 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 58 0.691 -1.844 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.891 -1.232 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.867 -1.848 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.035 -2.912 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.118 -4.118 -3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.496 -3.973 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.410 0.590 -0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.010 -0.304 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.015 0.322 -1.862 1.00 0.00 H new ATOM 904 N ILE A 59 1.318 -5.318 -0.300 1.00 0.00 N ATOM 905 CA ILE A 59 2.118 -6.516 -0.690 1.00 0.00 C ATOM 906 C ILE A 59 1.145 -7.456 -1.399 1.00 0.00 C ATOM 907 O ILE A 59 0.967 -8.603 -1.041 1.00 0.00 O ATOM 908 CB ILE A 59 2.642 -7.110 0.622 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.786 -6.233 1.136 1.00 0.00 C ATOM 910 CG2 ILE A 59 3.159 -8.527 0.370 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.689 -6.097 2.658 1.00 0.00 C ATOM 0 H ILE A 59 0.833 -5.391 0.594 1.00 0.00 H new ATOM 0 HA ILE A 59 2.960 -6.313 -1.352 1.00 0.00 H new ATOM 0 HB ILE A 59 1.841 -7.147 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.745 -6.672 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.740 -5.249 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.532 -8.950 1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.348 -9.148 -0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.966 -8.495 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.505 -5.472 3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.736 -5.639 2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.757 -7.084 3.116 1.00 0.00 H new ATOM 923 N ASP A 60 0.468 -6.915 -2.376 1.00 0.00 N ATOM 924 CA ASP A 60 -0.575 -7.672 -3.124 1.00 0.00 C ATOM 925 C ASP A 60 -0.128 -9.068 -3.551 1.00 0.00 C ATOM 926 O ASP A 60 0.994 -9.483 -3.350 1.00 0.00 O ATOM 927 CB ASP A 60 -0.908 -6.782 -4.338 1.00 0.00 C ATOM 928 CG ASP A 60 -0.466 -7.441 -5.653 1.00 0.00 C ATOM 929 OD1 ASP A 60 -1.147 -8.351 -6.096 1.00 0.00 O ATOM 930 OD2 ASP A 60 0.541 -7.020 -6.192 1.00 0.00 O ATOM 0 H ASP A 60 0.599 -5.955 -2.694 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.443 -7.863 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.981 -6.591 -4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.415 -5.816 -4.229 1.00 0.00 H new ATOM 935 N VAL A 61 -1.046 -9.773 -4.150 1.00 0.00 N ATOM 936 CA VAL A 61 -0.785 -11.149 -4.633 1.00 0.00 C ATOM 937 C VAL A 61 -0.411 -12.068 -3.464 1.00 0.00 C ATOM 938 O VAL A 61 0.701 -12.082 -2.972 1.00 0.00 O ATOM 939 CB VAL A 61 0.320 -11.000 -5.702 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.662 -11.556 -5.217 1.00 0.00 C ATOM 941 CG2 VAL A 61 -0.100 -11.761 -6.962 1.00 0.00 C ATOM 0 H VAL A 61 -1.993 -9.438 -4.328 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.660 -11.625 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 61 0.446 -9.937 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.411 -11.431 -5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.977 -11.018 -4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.554 -12.615 -4.983 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.675 -11.661 -7.722 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.239 -12.815 -6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.036 -11.349 -7.341 1.00 0.00 H new ATOM 951 N ASN A 62 -1.367 -12.836 -3.019 1.00 0.00 N ATOM 952 CA ASN A 62 -1.137 -13.778 -1.891 1.00 0.00 C ATOM 953 C ASN A 62 -1.656 -15.155 -2.302 1.00 0.00 C ATOM 954 O ASN A 62 -2.535 -15.713 -1.678 1.00 0.00 O ATOM 955 CB ASN A 62 -1.967 -13.226 -0.729 1.00 0.00 C ATOM 956 CG ASN A 62 -1.105 -12.307 0.137 1.00 0.00 C ATOM 957 OD1 ASN A 62 -0.973 -12.524 1.324 1.00 0.00 O ATOM 958 ND2 ASN A 62 -0.514 -11.280 -0.408 1.00 0.00 N ATOM 0 H ASN A 62 -2.314 -12.849 -3.397 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.086 -13.872 -1.619 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.826 -12.677 -1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.357 -14.047 -0.127 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.059 -10.659 0.163 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.625 -11.098 -1.405 1.00 0.00 H new ATOM 965 N LEU A 63 -1.132 -15.691 -3.367 1.00 0.00 N ATOM 966 CA LEU A 63 -1.606 -17.015 -3.848 1.00 0.00 C ATOM 967 C LEU A 63 -0.414 -17.935 -4.103 1.00 0.00 C ATOM 968 O LEU A 63 0.727 -17.538 -3.971 1.00 0.00 O ATOM 969 CB LEU A 63 -2.337 -16.704 -5.158 1.00 0.00 C ATOM 970 CG LEU A 63 -3.822 -17.048 -5.023 1.00 0.00 C ATOM 971 CD1 LEU A 63 -4.378 -16.455 -3.726 1.00 0.00 C ATOM 972 CD2 LEU A 63 -4.583 -16.460 -6.214 1.00 0.00 C ATOM 0 H LEU A 63 -0.393 -15.267 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.248 -17.522 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.221 -15.649 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.896 -17.275 -5.975 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.942 -18.131 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.435 -16.704 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.835 -16.867 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.260 -15.372 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.642 -16.701 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.458 -15.377 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.192 -16.882 -7.140 1.00 0.00 H new ATOM 984 N ASP A 64 -0.664 -19.160 -4.464 1.00 0.00 N ATOM 985 CA ASP A 64 0.462 -20.096 -4.722 1.00 0.00 C ATOM 986 C ASP A 64 1.497 -20.001 -3.599 1.00 0.00 C ATOM 987 O ASP A 64 2.650 -20.341 -3.779 1.00 0.00 O ATOM 988 CB ASP A 64 1.072 -19.622 -6.040 1.00 0.00 C ATOM 989 CG ASP A 64 1.733 -20.805 -6.748 1.00 0.00 C ATOM 990 OD1 ASP A 64 2.231 -21.680 -6.058 1.00 0.00 O ATOM 991 OD2 ASP A 64 1.732 -20.817 -7.968 1.00 0.00 O ATOM 0 H ASP A 64 -1.597 -19.553 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 64 0.132 -21.134 -4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.300 -19.189 -6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.807 -18.839 -5.853 1.00 0.00 H new ATOM 996 N GLY A 65 1.103 -19.544 -2.440 1.00 0.00 N ATOM 997 CA GLY A 65 2.083 -19.439 -1.325 1.00 0.00 C ATOM 998 C GLY A 65 1.796 -18.202 -0.477 1.00 0.00 C ATOM 999 O GLY A 65 2.363 -18.023 0.582 1.00 0.00 O ATOM 0 H GLY A 65 0.154 -19.242 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.033 -20.333 -0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.095 -19.386 -1.726 1.00 0.00 H new ATOM 1003 N GLU A 66 0.932 -17.342 -0.927 1.00 0.00 N ATOM 1004 CA GLU A 66 0.634 -16.119 -0.132 1.00 0.00 C ATOM 1005 C GLU A 66 1.941 -15.477 0.346 1.00 0.00 C ATOM 1006 O GLU A 66 2.202 -15.402 1.530 1.00 0.00 O ATOM 1007 CB GLU A 66 -0.193 -16.607 1.058 1.00 0.00 C ATOM 1008 CG GLU A 66 -0.522 -15.423 1.969 1.00 0.00 C ATOM 1009 CD GLU A 66 -2.019 -15.414 2.285 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -2.706 -16.315 1.834 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -2.452 -14.505 2.973 1.00 0.00 O ATOM 0 H GLU A 66 0.421 -17.429 -1.805 1.00 0.00 H new ATOM 0 HA GLU A 66 0.100 -15.366 -0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.112 -17.077 0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.360 -17.364 1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.054 -15.491 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.237 -14.489 1.484 1.00 0.00 H new ATOM 1018 N PRO A 67 2.724 -15.045 -0.604 1.00 0.00 N ATOM 1019 CA PRO A 67 4.032 -14.408 -0.297 1.00 0.00 C ATOM 1020 C PRO A 67 3.839 -13.009 0.300 1.00 0.00 C ATOM 1021 O PRO A 67 4.251 -12.019 -0.271 1.00 0.00 O ATOM 1022 CB PRO A 67 4.715 -14.324 -1.660 1.00 0.00 C ATOM 1023 CG PRO A 67 3.597 -14.320 -2.653 1.00 0.00 C ATOM 1024 CD PRO A 67 2.467 -15.109 -2.046 1.00 0.00 C ATOM 0 HA PRO A 67 4.611 -14.967 0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.320 -13.421 -1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.382 -15.171 -1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.281 -13.301 -2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.916 -14.766 -3.595 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.498 -14.678 -2.298 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.461 -16.138 -2.405 1.00 0.00 H new ATOM 1032 N SER A 68 3.225 -12.918 1.448 1.00 0.00 N ATOM 1033 CA SER A 68 3.019 -11.581 2.079 1.00 0.00 C ATOM 1034 C SER A 68 3.776 -11.505 3.407 1.00 0.00 C ATOM 1035 O SER A 68 3.586 -10.597 4.190 1.00 0.00 O ATOM 1036 CB SER A 68 1.514 -11.477 2.308 1.00 0.00 C ATOM 1037 OG SER A 68 1.164 -12.199 3.482 1.00 0.00 O ATOM 0 H SER A 68 2.857 -13.709 1.976 1.00 0.00 H new ATOM 0 HA SER A 68 3.389 -10.767 1.456 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.222 -10.432 2.410 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.976 -11.876 1.448 1.00 0.00 H new ATOM 0 HG SER A 68 0.192 -12.175 3.603 1.00 0.00 H new ATOM 1043 N TYR A 69 4.639 -12.455 3.655 1.00 0.00 N ATOM 1044 CA TYR A 69 5.429 -12.472 4.924 1.00 0.00 C ATOM 1045 C TYR A 69 4.503 -12.303 6.127 1.00 0.00 C ATOM 1046 O TYR A 69 3.341 -11.976 5.988 1.00 0.00 O ATOM 1047 CB TYR A 69 6.439 -11.307 4.863 1.00 0.00 C ATOM 1048 CG TYR A 69 6.377 -10.575 3.538 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.758 -11.220 2.357 1.00 0.00 C ATOM 1050 CD2 TYR A 69 5.934 -9.250 3.496 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.699 -10.533 1.139 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.875 -8.565 2.286 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.256 -9.205 1.103 1.00 0.00 C ATOM 1054 OH TYR A 69 6.197 -8.528 -0.097 1.00 0.00 O ATOM 0 H TYR A 69 4.833 -13.232 3.023 1.00 0.00 H new ATOM 0 HA TYR A 69 5.950 -13.423 5.033 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.236 -10.608 5.674 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.447 -11.692 5.019 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.097 -12.245 2.385 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.636 -8.755 4.408 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.995 -11.028 0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.535 -7.540 2.261 1.00 0.00 H new ATOM 0 HH TYR A 69 6.644 -7.661 -0.006 1.00 0.00 H new ATOM 1064 N PRO A 70 5.057 -12.537 7.280 1.00 0.00 N ATOM 1065 CA PRO A 70 4.278 -12.409 8.528 1.00 0.00 C ATOM 1066 C PRO A 70 4.001 -10.938 8.830 1.00 0.00 C ATOM 1067 O PRO A 70 3.303 -10.614 9.767 1.00 0.00 O ATOM 1068 CB PRO A 70 5.191 -13.013 9.586 1.00 0.00 C ATOM 1069 CG PRO A 70 6.571 -12.875 9.029 1.00 0.00 C ATOM 1070 CD PRO A 70 6.445 -12.938 7.529 1.00 0.00 C ATOM 0 HA PRO A 70 3.307 -12.902 8.479 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.095 -12.489 10.537 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.943 -14.058 9.772 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.020 -11.932 9.340 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.217 -13.672 9.396 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.150 -12.266 7.039 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.646 -13.941 7.152 1.00 0.00 H new ATOM 1078 N VAL A 71 4.533 -10.037 8.049 1.00 0.00 N ATOM 1079 CA VAL A 71 4.271 -8.600 8.328 1.00 0.00 C ATOM 1080 C VAL A 71 3.076 -8.112 7.497 1.00 0.00 C ATOM 1081 O VAL A 71 2.115 -7.608 8.042 1.00 0.00 O ATOM 1082 CB VAL A 71 5.568 -7.851 8.001 1.00 0.00 C ATOM 1083 CG1 VAL A 71 6.729 -8.490 8.767 1.00 0.00 C ATOM 1084 CG2 VAL A 71 5.856 -7.928 6.510 1.00 0.00 C ATOM 0 H VAL A 71 5.128 -10.231 7.243 1.00 0.00 H new ATOM 0 HA VAL A 71 4.002 -8.423 9.369 1.00 0.00 H new ATOM 0 HB VAL A 71 5.457 -6.807 8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.653 -7.959 8.536 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.534 -8.431 9.838 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.828 -9.535 8.473 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.779 -7.393 6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.962 -8.971 6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.033 -7.475 5.957 1.00 0.00 H new ATOM 1094 N ALA A 72 3.088 -8.281 6.196 1.00 0.00 N ATOM 1095 CA ALA A 72 1.912 -7.850 5.401 1.00 0.00 C ATOM 1096 C ALA A 72 0.658 -8.434 6.034 1.00 0.00 C ATOM 1097 O ALA A 72 -0.326 -7.753 6.254 1.00 0.00 O ATOM 1098 CB ALA A 72 2.131 -8.462 4.027 1.00 0.00 C ATOM 0 H ALA A 72 3.853 -8.694 5.663 1.00 0.00 H new ATOM 0 HA ALA A 72 1.799 -6.767 5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.303 -8.192 3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.064 -8.087 3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.184 -9.547 4.116 1.00 0.00 H new ATOM 1104 N ASP A 73 0.696 -9.700 6.349 1.00 0.00 N ATOM 1105 CA ASP A 73 -0.483 -10.332 6.986 1.00 0.00 C ATOM 1106 C ASP A 73 -0.774 -9.621 8.300 1.00 0.00 C ATOM 1107 O ASP A 73 -1.866 -9.148 8.541 1.00 0.00 O ATOM 1108 CB ASP A 73 -0.069 -11.772 7.240 1.00 0.00 C ATOM 1109 CG ASP A 73 -0.459 -12.636 6.041 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -1.194 -12.147 5.199 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -0.014 -13.770 5.983 1.00 0.00 O ATOM 0 H ASP A 73 1.492 -10.318 6.192 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.381 -10.277 6.371 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.007 -11.828 7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.551 -12.146 8.143 1.00 0.00 H new ATOM 1116 N ILE A 74 0.215 -9.521 9.140 1.00 0.00 N ATOM 1117 CA ILE A 74 0.015 -8.811 10.432 1.00 0.00 C ATOM 1118 C ILE A 74 -0.531 -7.423 10.126 1.00 0.00 C ATOM 1119 O ILE A 74 -1.466 -6.946 10.743 1.00 0.00 O ATOM 1120 CB ILE A 74 1.407 -8.711 11.063 1.00 0.00 C ATOM 1121 CG1 ILE A 74 1.752 -10.031 11.758 1.00 0.00 C ATOM 1122 CG2 ILE A 74 1.424 -7.581 12.095 1.00 0.00 C ATOM 1123 CD1 ILE A 74 3.174 -9.958 12.318 1.00 0.00 C ATOM 0 H ILE A 74 1.150 -9.899 8.989 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.681 -9.319 11.100 1.00 0.00 H new ATOM 0 HB ILE A 74 2.140 -8.505 10.283 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.043 -10.227 12.562 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.670 -10.858 11.052 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.415 -7.512 12.543 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.180 -6.638 11.606 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.689 -7.787 12.873 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.419 -10.898 12.813 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.877 -9.782 11.504 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.240 -9.142 13.037 1.00 0.00 H new ATOM 1135 N LEU A 75 0.049 -6.782 9.153 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.421 -5.436 8.765 1.00 0.00 C ATOM 1137 C LEU A 75 -1.941 -5.472 8.595 1.00 0.00 C ATOM 1138 O LEU A 75 -2.618 -4.472 8.726 1.00 0.00 O ATOM 1139 CB LEU A 75 0.293 -5.157 7.443 1.00 0.00 C ATOM 1140 CG LEU A 75 0.272 -3.659 7.162 1.00 0.00 C ATOM 1141 CD1 LEU A 75 0.846 -2.915 8.368 1.00 0.00 C ATOM 1142 CD2 LEU A 75 1.125 -3.367 5.927 1.00 0.00 C ATOM 0 H LEU A 75 0.834 -7.140 8.609 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.206 -4.661 9.501 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.322 -5.515 7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.196 -5.697 6.632 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.751 -3.329 6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.834 -1.843 8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.242 -3.131 9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.872 -3.241 8.542 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.113 -2.297 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.150 -3.691 6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.721 -3.905 5.070 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.479 -6.631 8.321 1.00 0.00 N ATOM 1155 CA ALA A 76 -3.951 -6.754 8.162 1.00 0.00 C ATOM 1156 C ALA A 76 -4.603 -7.011 9.527 1.00 0.00 C ATOM 1157 O ALA A 76 -5.721 -6.608 9.775 1.00 0.00 O ATOM 1158 CB ALA A 76 -4.152 -7.951 7.234 1.00 0.00 C ATOM 0 H ALA A 76 -1.957 -7.499 8.201 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.404 -5.849 7.756 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.218 -8.107 7.067 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.660 -7.759 6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.722 -8.842 7.691 1.00 0.00 H new ATOM 1164 N GLU A 77 -3.909 -7.675 10.416 1.00 0.00 N ATOM 1165 CA GLU A 77 -4.485 -7.947 11.764 1.00 0.00 C ATOM 1166 C GLU A 77 -4.595 -6.639 12.557 1.00 0.00 C ATOM 1167 O GLU A 77 -5.162 -6.593 13.631 1.00 0.00 O ATOM 1168 CB GLU A 77 -3.496 -8.902 12.438 1.00 0.00 C ATOM 1169 CG GLU A 77 -3.496 -10.246 11.704 1.00 0.00 C ATOM 1170 CD GLU A 77 -4.085 -11.328 12.611 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -3.966 -11.191 13.817 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -4.644 -12.276 12.084 1.00 0.00 O ATOM 0 H GLU A 77 -2.969 -8.040 10.265 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.486 -8.376 11.709 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.495 -8.471 12.428 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.770 -9.047 13.483 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.079 -10.170 10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.480 -10.514 11.415 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.059 -5.574 12.023 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.126 -4.260 12.719 1.00 0.00 C ATOM 1181 C ARG A 78 -4.554 -3.175 11.726 1.00 0.00 C ATOM 1182 O ARG A 78 -5.407 -2.355 12.006 1.00 0.00 O ATOM 1183 CB ARG A 78 -2.706 -3.999 13.232 1.00 0.00 C ATOM 1184 CG ARG A 78 -1.723 -4.009 12.058 1.00 0.00 C ATOM 1185 CD ARG A 78 -0.307 -4.278 12.573 1.00 0.00 C ATOM 1186 NE ARG A 78 0.035 -3.084 13.394 1.00 0.00 N ATOM 1187 CZ ARG A 78 1.283 -2.807 13.660 1.00 0.00 C ATOM 1188 NH1 ARG A 78 2.141 -3.773 13.856 1.00 0.00 N ATOM 1189 NH2 ARG A 78 1.673 -1.563 13.732 1.00 0.00 N ATOM 0 H ARG A 78 -3.574 -5.560 11.126 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.849 -4.256 13.535 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.665 -3.038 13.745 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.426 -4.761 13.960 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.010 -4.775 11.337 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.755 -3.053 11.536 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.270 -5.191 13.168 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.395 -4.406 11.749 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.707 -2.481 13.749 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.836 -4.745 13.801 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.116 -3.555 14.064 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.003 -0.809 13.581 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.648 -1.345 13.940 1.00 0.00 H new ATOM 1203 N ASN A 79 -3.979 -3.190 10.556 1.00 0.00 N ATOM 1204 CA ASN A 79 -4.349 -2.194 9.509 1.00 0.00 C ATOM 1205 C ASN A 79 -4.182 -0.752 10.001 1.00 0.00 C ATOM 1206 O ASN A 79 -5.090 -0.170 10.563 1.00 0.00 O ATOM 1207 CB ASN A 79 -5.821 -2.467 9.186 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.128 -3.964 9.307 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -6.337 -4.464 10.393 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.168 -4.700 8.229 1.00 0.00 N ATOM 0 H ASN A 79 -3.260 -3.857 10.276 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.701 -2.296 8.638 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.459 -1.903 9.866 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.048 -2.124 8.177 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.375 -5.696 8.299 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.992 -4.279 7.317 1.00 0.00 H new ATOM 1217 N VAL A 80 -3.046 -0.156 9.752 1.00 0.00 N ATOM 1218 CA VAL A 80 -2.837 1.268 10.155 1.00 0.00 C ATOM 1219 C VAL A 80 -3.377 2.137 9.012 1.00 0.00 C ATOM 1220 O VAL A 80 -4.010 1.613 8.118 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.306 1.431 10.334 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -0.679 0.110 10.784 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -0.639 1.858 9.017 1.00 0.00 C ATOM 0 H VAL A 80 -2.251 -0.594 9.286 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.345 1.556 11.076 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.146 2.200 11.089 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.396 0.240 10.905 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.117 -0.196 11.734 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.869 -0.657 10.033 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.435 1.965 9.171 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.823 1.101 8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.056 2.811 8.690 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.104 3.415 9.022 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.583 4.244 7.901 1.00 0.00 C ATOM 1235 C PRO A 81 -2.830 3.793 6.655 1.00 0.00 C ATOM 1236 O PRO A 81 -1.619 3.864 6.593 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.239 5.666 8.318 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.124 5.515 9.303 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.349 4.200 10.009 1.00 0.00 C ATOM 0 HA PRO A 81 -4.648 4.166 7.680 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.932 6.266 7.462 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.098 6.166 8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.158 5.524 8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.120 6.341 10.014 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.408 3.718 10.272 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.910 4.330 10.934 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.531 3.274 5.690 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.843 2.748 4.475 1.00 0.00 C ATOM 1249 C PHE A 82 -3.833 2.213 3.437 1.00 0.00 C ATOM 1250 O PHE A 82 -4.843 2.817 3.146 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.973 1.604 5.011 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.835 0.436 5.473 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.231 0.563 5.621 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.222 -0.786 5.768 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.994 -0.526 6.056 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -2.988 -1.872 6.207 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.373 -1.743 6.351 1.00 0.00 C ATOM 0 H PHE A 82 -4.548 3.190 5.686 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.276 3.527 3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.286 1.269 4.234 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.364 1.963 5.841 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.713 1.503 5.398 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.153 -0.892 5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.064 -0.426 6.164 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.508 -2.812 6.435 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.962 -2.583 6.690 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.524 1.071 2.884 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.393 0.440 1.865 1.00 0.00 C ATOM 1269 C ILE A 83 -3.744 -0.883 1.480 1.00 0.00 C ATOM 1270 O ILE A 83 -2.551 -1.054 1.652 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.412 1.437 0.710 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.789 2.098 0.641 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -4.116 0.745 -0.627 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.685 3.429 -0.106 1.00 0.00 C ATOM 0 H ILE A 83 -2.682 0.540 3.106 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.410 0.225 2.192 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.639 2.184 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.494 1.439 0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.174 2.264 1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.137 1.481 -1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.131 0.280 -0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.870 -0.019 -0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.668 3.897 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.994 4.088 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.319 3.251 -1.117 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.500 -1.819 0.987 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.890 -3.125 0.630 1.00 0.00 C ATOM 1288 C PHE A 84 -4.715 -3.853 -0.432 1.00 0.00 C ATOM 1289 O PHE A 84 -5.849 -3.502 -0.738 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.899 -3.897 1.945 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.782 -4.920 1.969 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -2.977 -6.190 1.406 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.554 -4.603 2.567 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -1.945 -7.138 1.441 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -0.524 -5.553 2.599 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.720 -6.818 2.036 1.00 0.00 C ATOM 0 H PHE A 84 -5.503 -1.739 0.817 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.892 -3.018 0.204 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.785 -3.206 2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.860 -4.396 2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.922 -6.437 0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.402 -3.627 3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.096 -8.116 1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.422 -5.308 3.059 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.075 -7.549 2.061 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.153 -4.875 -0.997 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.891 -5.630 -2.029 1.00 0.00 C ATOM 1308 C ALA A 85 -4.358 -7.058 -2.123 1.00 0.00 C ATOM 1309 O ALA A 85 -3.232 -7.323 -1.772 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.633 -4.871 -3.330 1.00 0.00 C ATOM 0 H ALA A 85 -3.216 -5.219 -0.788 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.955 -5.706 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.149 -5.370 -4.151 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.003 -3.850 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.562 -4.851 -3.533 1.00 0.00 H new ATOM 1316 N THR A 86 -5.155 -7.987 -2.587 1.00 0.00 N ATOM 1317 CA THR A 86 -4.664 -9.398 -2.699 1.00 0.00 C ATOM 1318 C THR A 86 -5.809 -10.355 -3.052 1.00 0.00 C ATOM 1319 O THR A 86 -6.914 -9.945 -3.346 1.00 0.00 O ATOM 1320 CB THR A 86 -4.044 -9.764 -1.338 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.226 -11.151 -1.095 1.00 0.00 O ATOM 1322 CG2 THR A 86 -4.702 -8.973 -0.204 1.00 0.00 C ATOM 0 H THR A 86 -6.116 -7.834 -2.891 1.00 0.00 H new ATOM 0 HA THR A 86 -3.928 -9.486 -3.498 1.00 0.00 H new ATOM 0 HB THR A 86 -2.983 -9.518 -1.369 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.516 -11.285 -0.169 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.245 -9.251 0.746 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.562 -7.906 -0.376 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.768 -9.199 -0.174 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.530 -11.630 -3.048 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.562 -12.644 -3.409 1.00 0.00 C ATOM 1332 C GLY A 87 -7.875 -12.417 -2.650 1.00 0.00 C ATOM 1333 O GLY A 87 -8.940 -12.446 -3.234 1.00 0.00 O ATOM 0 H GLY A 87 -4.618 -12.017 -2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.751 -12.604 -4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.183 -13.642 -3.189 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.829 -12.222 -1.358 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.107 -12.035 -0.608 1.00 0.00 C ATOM 1339 C TYR A 88 -9.526 -10.560 -0.567 1.00 0.00 C ATOM 1340 O TYR A 88 -10.640 -10.241 -0.200 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.850 -12.579 0.800 1.00 0.00 C ATOM 1342 CG TYR A 88 -7.581 -11.996 1.373 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -7.553 -10.665 1.802 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -6.439 -12.797 1.497 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -6.382 -10.131 2.350 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -5.268 -12.264 2.049 1.00 0.00 C ATOM 1347 CZ TYR A 88 -5.240 -10.931 2.477 1.00 0.00 C ATOM 1348 OH TYR A 88 -4.087 -10.407 3.022 1.00 0.00 O ATOM 0 H TYR A 88 -6.978 -12.184 -0.797 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.928 -12.562 -1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.692 -12.337 1.448 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.775 -13.666 0.767 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.436 -10.049 1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.462 -13.825 1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.359 -9.101 2.675 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.387 -12.881 2.145 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.390 -11.096 3.038 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.666 -9.657 -0.951 1.00 0.00 N ATOM 1359 CA GLY A 89 -9.057 -8.219 -0.939 1.00 0.00 C ATOM 1360 C GLY A 89 -9.082 -7.692 0.495 1.00 0.00 C ATOM 1361 O GLY A 89 -10.103 -7.249 0.981 1.00 0.00 O ATOM 0 H GLY A 89 -7.717 -9.850 -1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.354 -7.638 -1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.039 -8.098 -1.396 1.00 0.00 H new ATOM 1365 N SER A 90 -7.963 -7.731 1.166 1.00 0.00 N ATOM 1366 CA SER A 90 -7.877 -7.218 2.572 1.00 0.00 C ATOM 1367 C SER A 90 -8.680 -8.063 3.583 1.00 0.00 C ATOM 1368 O SER A 90 -8.405 -8.020 4.765 1.00 0.00 O ATOM 1369 CB SER A 90 -8.418 -5.788 2.518 1.00 0.00 C ATOM 1370 OG SER A 90 -7.332 -4.887 2.358 1.00 0.00 O ATOM 0 H SER A 90 -7.088 -8.102 0.796 1.00 0.00 H new ATOM 0 HA SER A 90 -6.847 -7.268 2.924 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.120 -5.682 1.691 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.966 -5.558 3.432 1.00 0.00 H new ATOM 0 HG SER A 90 -7.162 -4.746 1.403 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.663 -8.822 3.164 1.00 0.00 N ATOM 1377 CA LYS A 91 -10.446 -9.642 4.147 1.00 0.00 C ATOM 1378 C LYS A 91 -11.272 -8.727 5.072 1.00 0.00 C ATOM 1379 O LYS A 91 -12.467 -8.894 5.215 1.00 0.00 O ATOM 1380 CB LYS A 91 -9.375 -10.473 4.903 1.00 0.00 C ATOM 1381 CG LYS A 91 -9.563 -10.436 6.434 1.00 0.00 C ATOM 1382 CD LYS A 91 -8.200 -10.599 7.114 1.00 0.00 C ATOM 1383 CE LYS A 91 -8.050 -9.553 8.225 1.00 0.00 C ATOM 1384 NZ LYS A 91 -9.148 -9.852 9.187 1.00 0.00 N ATOM 0 H LYS A 91 -9.957 -8.911 2.191 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.179 -10.298 3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.416 -11.507 4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.384 -10.094 4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.021 -9.493 6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.237 -11.233 6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.108 -11.602 7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.401 -10.483 6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.074 -9.625 8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.137 -8.541 7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.873 -9.533 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.013 -9.356 8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.326 -10.877 9.204 1.00 0.00 H new ATOM 1398 N GLY A 92 -10.647 -7.767 5.703 1.00 0.00 N ATOM 1399 CA GLY A 92 -11.388 -6.849 6.615 1.00 0.00 C ATOM 1400 C GLY A 92 -10.465 -5.688 6.976 1.00 0.00 C ATOM 1401 O GLY A 92 -10.470 -5.187 8.084 1.00 0.00 O ATOM 0 H GLY A 92 -9.648 -7.579 5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.292 -6.480 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.702 -7.379 7.514 1.00 0.00 H new ATOM 1405 N LEU A 93 -9.659 -5.275 6.040 1.00 0.00 N ATOM 1406 CA LEU A 93 -8.703 -4.162 6.294 1.00 0.00 C ATOM 1407 C LEU A 93 -9.421 -2.914 6.815 1.00 0.00 C ATOM 1408 O LEU A 93 -10.200 -2.292 6.120 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.064 -3.887 4.933 1.00 0.00 C ATOM 1410 CG LEU A 93 -7.184 -2.638 5.015 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -5.928 -2.836 4.163 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -7.965 -1.431 4.492 1.00 0.00 C ATOM 0 H LEU A 93 -9.621 -5.666 5.098 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.970 -4.424 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.466 -4.744 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.839 -3.748 4.179 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.895 -2.467 6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.303 -1.945 4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.370 -3.696 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.215 -3.008 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.340 -0.540 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.253 -1.606 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.859 -1.286 5.098 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.138 -2.535 8.031 1.00 0.00 N ATOM 1425 CA ASP A 94 -9.769 -1.315 8.609 1.00 0.00 C ATOM 1426 C ASP A 94 -8.727 -0.196 8.645 1.00 0.00 C ATOM 1427 O ASP A 94 -7.541 -0.455 8.701 1.00 0.00 O ATOM 1428 CB ASP A 94 -10.188 -1.711 10.025 1.00 0.00 C ATOM 1429 CG ASP A 94 -9.009 -2.372 10.741 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -8.609 -3.445 10.318 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.523 -1.795 11.700 1.00 0.00 O ATOM 0 H ASP A 94 -8.492 -3.022 8.653 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.622 -0.959 8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.516 -0.831 10.578 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.034 -2.397 9.987 1.00 0.00 H new ATOM 1436 N THR A 95 -9.136 1.039 8.596 1.00 0.00 N ATOM 1437 CA THR A 95 -8.125 2.134 8.612 1.00 0.00 C ATOM 1438 C THR A 95 -8.790 3.507 8.652 1.00 0.00 C ATOM 1439 O THR A 95 -9.996 3.630 8.729 1.00 0.00 O ATOM 1440 CB THR A 95 -7.365 1.967 7.298 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.579 3.118 7.053 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.356 1.778 6.149 1.00 0.00 C ATOM 0 H THR A 95 -10.110 1.337 8.546 1.00 0.00 H new ATOM 0 HA THR A 95 -7.484 2.076 9.491 1.00 0.00 H new ATOM 0 HB THR A 95 -6.719 1.092 7.368 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.600 3.331 6.097 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.810 1.659 5.213 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.960 0.889 6.332 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.006 2.651 6.082 1.00 0.00 H new ATOM 1450 N ARG A 96 -7.998 4.540 8.586 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.556 5.919 8.602 1.00 0.00 C ATOM 1452 C ARG A 96 -9.107 6.263 7.219 1.00 0.00 C ATOM 1453 O ARG A 96 -9.574 7.359 6.980 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.363 6.820 8.925 1.00 0.00 C ATOM 1455 CG ARG A 96 -7.099 6.824 10.434 1.00 0.00 C ATOM 1456 CD ARG A 96 -7.179 5.399 10.988 1.00 0.00 C ATOM 1457 NE ARG A 96 -7.071 5.566 12.464 1.00 0.00 N ATOM 1458 CZ ARG A 96 -7.136 4.527 13.252 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -6.094 3.758 13.406 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -8.241 4.263 13.891 1.00 0.00 N ATOM 0 H ARG A 96 -6.981 4.487 8.521 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.367 6.034 9.321 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.478 6.469 8.394 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.560 7.835 8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.115 7.246 10.637 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.829 7.459 10.937 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.117 4.917 10.711 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.373 4.776 10.599 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.946 6.497 12.861 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.227 3.968 12.911 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.146 2.947 14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.054 4.868 13.775 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.293 3.451 14.507 1.00 0.00 H new ATOM 1474 N TYR A 97 -9.041 5.339 6.299 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.545 5.628 4.929 1.00 0.00 C ATOM 1476 C TYR A 97 -11.060 5.423 4.856 1.00 0.00 C ATOM 1477 O TYR A 97 -11.801 6.349 4.593 1.00 0.00 O ATOM 1478 CB TYR A 97 -8.810 4.635 4.028 1.00 0.00 C ATOM 1479 CG TYR A 97 -7.370 5.071 3.886 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.542 5.149 5.016 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.865 5.411 2.627 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -5.213 5.563 4.883 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -5.534 5.823 2.495 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.709 5.902 3.622 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.399 6.312 3.490 1.00 0.00 O ATOM 0 H TYR A 97 -8.662 4.402 6.437 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.365 6.660 4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.860 3.633 4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.288 4.590 3.049 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.931 4.889 5.989 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.502 5.356 1.757 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.576 5.621 5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.143 6.080 1.522 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.807 5.659 3.918 1.00 0.00 H new ATOM 1495 N SER A 98 -11.518 4.218 5.098 1.00 0.00 N ATOM 1496 CA SER A 98 -12.992 3.920 5.056 1.00 0.00 C ATOM 1497 C SER A 98 -13.236 2.415 4.841 1.00 0.00 C ATOM 1498 O SER A 98 -14.354 1.948 4.921 1.00 0.00 O ATOM 1499 CB SER A 98 -13.559 4.722 3.884 1.00 0.00 C ATOM 1500 OG SER A 98 -14.146 5.920 4.375 1.00 0.00 O ATOM 0 H SER A 98 -10.929 3.417 5.326 1.00 0.00 H new ATOM 0 HA SER A 98 -13.474 4.193 5.995 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.768 4.956 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.303 4.131 3.350 1.00 0.00 H new ATOM 0 HG SER A 98 -13.446 6.503 4.737 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.195 1.656 4.581 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.337 0.175 4.377 1.00 0.00 C ATOM 1508 C ASN A 99 -12.859 -0.142 2.974 1.00 0.00 C ATOM 1509 O ASN A 99 -13.336 -1.228 2.714 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.328 -0.319 5.438 1.00 0.00 C ATOM 1511 CG ASN A 99 -13.096 0.417 6.759 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -13.985 0.504 7.584 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -11.934 0.955 6.996 1.00 0.00 N ATOM 0 H ASN A 99 -11.240 2.005 4.500 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.371 -0.320 4.474 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.350 -0.155 5.096 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.210 -1.392 5.585 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.770 1.449 7.873 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.188 0.882 6.304 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.779 0.789 2.068 1.00 0.00 N ATOM 1521 CA ILE A 100 -13.282 0.510 0.687 1.00 0.00 C ATOM 1522 C ILE A 100 -12.154 0.364 -0.362 1.00 0.00 C ATOM 1523 O ILE A 100 -12.371 -0.272 -1.373 1.00 0.00 O ATOM 1524 CB ILE A 100 -14.199 1.681 0.322 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -13.354 2.935 0.014 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -15.181 1.943 1.471 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -13.200 3.804 1.260 1.00 0.00 C ATOM 0 H ILE A 100 -12.393 1.722 2.216 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.803 -0.447 0.679 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.773 1.433 -0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -12.371 2.636 -0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.827 3.512 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.833 2.777 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.784 1.052 1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -14.625 2.187 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.601 4.682 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.184 4.120 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.705 3.231 2.044 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.994 0.956 -0.136 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.910 0.846 -1.144 1.00 0.00 C ATOM 1541 C PRO A 101 -9.244 -0.525 -1.062 1.00 0.00 C ATOM 1542 O PRO A 101 -8.046 -0.629 -0.887 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.918 1.925 -0.736 1.00 0.00 C ATOM 1544 CG PRO A 101 -9.137 2.114 0.732 1.00 0.00 C ATOM 1545 CD PRO A 101 -10.574 1.757 1.024 1.00 0.00 C ATOM 0 HA PRO A 101 -10.275 0.963 -2.164 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.893 1.619 -0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.093 2.851 -1.284 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.460 1.481 1.306 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.931 3.145 1.021 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.662 1.191 1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.190 2.649 1.135 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.997 -1.581 -1.173 1.00 0.00 N ATOM 1554 CA LEU A 102 -9.363 -2.929 -1.085 1.00 0.00 C ATOM 1555 C LEU A 102 -9.623 -3.737 -2.355 1.00 0.00 C ATOM 1556 O LEU A 102 -10.729 -3.782 -2.857 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.984 -3.652 0.129 1.00 0.00 C ATOM 1558 CG LEU A 102 -10.772 -2.682 1.019 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -11.649 -3.475 1.989 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -9.794 -1.816 1.811 1.00 0.00 C ATOM 0 H LEU A 102 -11.007 -1.574 -1.318 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.284 -2.827 -0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.644 -4.447 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.196 -4.125 0.714 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.403 -2.047 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.208 -2.785 2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.345 -4.096 1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.020 -4.109 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.350 -1.125 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.165 -2.453 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.167 -1.251 1.121 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.613 -4.383 -2.879 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.827 -5.195 -4.123 1.00 0.00 C ATOM 1574 C LEU A 103 -7.603 -6.057 -4.432 1.00 0.00 C ATOM 1575 O LEU A 103 -6.738 -6.227 -3.614 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.049 -4.182 -5.257 1.00 0.00 C ATOM 1577 CG LEU A 103 -8.308 -2.863 -4.976 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -6.791 -3.078 -5.008 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -8.689 -1.845 -6.048 1.00 0.00 C ATOM 0 H LEU A 103 -7.662 -4.387 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.675 -5.870 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.701 -4.605 -6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.115 -3.986 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.591 -2.502 -3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.285 -2.134 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.511 -3.808 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.496 -3.445 -5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.169 -0.906 -5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.405 -2.226 -7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.765 -1.676 -6.023 1.00 0.00 H new ATOM 1591 N THR A 104 -7.524 -6.594 -5.616 1.00 0.00 N ATOM 1592 CA THR A 104 -6.343 -7.419 -5.985 1.00 0.00 C ATOM 1593 C THR A 104 -5.660 -6.824 -7.223 1.00 0.00 C ATOM 1594 O THR A 104 -5.266 -7.532 -8.128 1.00 0.00 O ATOM 1595 CB THR A 104 -6.892 -8.816 -6.278 1.00 0.00 C ATOM 1596 OG1 THR A 104 -5.873 -9.605 -6.878 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.084 -8.710 -7.228 1.00 0.00 C ATOM 0 H THR A 104 -8.229 -6.496 -6.346 1.00 0.00 H new ATOM 0 HA THR A 104 -5.595 -7.450 -5.192 1.00 0.00 H new ATOM 0 HB THR A 104 -7.215 -9.283 -5.348 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.580 -9.182 -7.712 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.474 -9.707 -7.435 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.864 -8.104 -6.767 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.766 -8.243 -8.160 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.531 -5.523 -7.272 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.890 -4.870 -8.453 1.00 0.00 C ATOM 1607 C LYS A 105 -5.649 -5.195 -9.747 1.00 0.00 C ATOM 1608 O LYS A 105 -5.041 -5.452 -10.767 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.475 -5.437 -8.500 1.00 0.00 C ATOM 1610 CG LYS A 105 -2.488 -4.340 -8.100 1.00 0.00 C ATOM 1611 CD LYS A 105 -1.387 -4.953 -7.235 1.00 0.00 C ATOM 1612 CE LYS A 105 -0.143 -5.203 -8.092 1.00 0.00 C ATOM 1613 NZ LYS A 105 -0.458 -6.432 -8.874 1.00 0.00 N ATOM 0 H LYS A 105 -5.843 -4.882 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.895 -3.784 -8.364 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.387 -6.288 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.248 -5.801 -9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.056 -3.880 -8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.003 -3.552 -7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -1.144 -4.284 -6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.733 -5.889 -6.796 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.061 -4.358 -8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.742 -5.345 -7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.427 -6.880 -9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.990 -7.097 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.031 -6.178 -9.704 1.00 0.00 H new ATOM 1627 N PRO A 106 -6.958 -5.148 -9.671 1.00 0.00 N ATOM 1628 CA PRO A 106 -7.791 -5.417 -10.863 1.00 0.00 C ATOM 1629 C PRO A 106 -7.813 -4.173 -11.754 1.00 0.00 C ATOM 1630 O PRO A 106 -8.356 -4.181 -12.841 1.00 0.00 O ATOM 1631 CB PRO A 106 -9.178 -5.674 -10.284 1.00 0.00 C ATOM 1632 CG PRO A 106 -9.198 -4.942 -8.980 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.775 -4.849 -8.490 1.00 0.00 C ATOM 0 HA PRO A 106 -7.429 -6.247 -11.469 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.958 -5.310 -10.953 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -9.354 -6.740 -10.140 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.626 -3.947 -9.105 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.820 -5.467 -8.255 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.555 -3.857 -8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.585 -5.560 -7.686 1.00 0.00 H new ATOM 1641 N PHE A 107 -7.236 -3.096 -11.288 1.00 0.00 N ATOM 1642 CA PHE A 107 -7.233 -1.845 -12.092 1.00 0.00 C ATOM 1643 C PHE A 107 -8.677 -1.434 -12.386 1.00 0.00 C ATOM 1644 O PHE A 107 -9.545 -1.655 -11.567 1.00 0.00 O ATOM 1645 CB PHE A 107 -6.439 -2.193 -13.354 1.00 0.00 C ATOM 1646 CG PHE A 107 -4.953 -2.167 -13.029 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -4.515 -1.996 -11.702 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -4.012 -2.305 -14.056 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -3.148 -1.959 -11.411 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -2.641 -2.272 -13.761 1.00 0.00 C ATOM 1651 CZ PHE A 107 -2.209 -2.097 -12.439 1.00 0.00 C ATOM 0 H PHE A 107 -6.767 -3.032 -10.384 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.778 -0.994 -11.586 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.727 -3.179 -13.720 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.663 -1.480 -14.148 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.238 -1.893 -10.906 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -4.342 -2.437 -15.076 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.817 -1.824 -10.392 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.917 -2.382 -14.554 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.153 -2.069 -12.214 1.00 0.00 H new ATOM 1661 N LEU A 108 -8.946 -0.816 -13.511 1.00 0.00 N ATOM 1662 CA LEU A 108 -10.345 -0.370 -13.809 1.00 0.00 C ATOM 1663 C LEU A 108 -10.761 0.707 -12.794 1.00 0.00 C ATOM 1664 O LEU A 108 -11.097 1.815 -13.159 1.00 0.00 O ATOM 1665 CB LEU A 108 -11.221 -1.632 -13.706 1.00 0.00 C ATOM 1666 CG LEU A 108 -12.665 -1.250 -13.371 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -13.615 -1.982 -14.320 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -12.978 -1.654 -11.928 1.00 0.00 C ATOM 0 H LEU A 108 -8.260 -0.601 -14.234 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.446 0.075 -14.799 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.192 -2.181 -14.647 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.825 -2.296 -12.937 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.793 -0.173 -13.483 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -14.644 -1.712 -14.084 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.392 -1.698 -15.348 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.487 -3.058 -14.205 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -14.006 -1.382 -11.689 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.852 -2.731 -11.816 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.299 -1.137 -11.250 1.00 0.00 H new ATOM 1680 N ASP A 109 -10.722 0.395 -11.526 1.00 0.00 N ATOM 1681 CA ASP A 109 -11.089 1.396 -10.485 1.00 0.00 C ATOM 1682 C ASP A 109 -10.121 1.286 -9.299 1.00 0.00 C ATOM 1683 O ASP A 109 -10.323 1.884 -8.262 1.00 0.00 O ATOM 1684 CB ASP A 109 -12.507 1.021 -10.054 1.00 0.00 C ATOM 1685 CG ASP A 109 -13.517 1.881 -10.813 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -13.517 3.083 -10.605 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -14.275 1.323 -11.590 1.00 0.00 O ATOM 0 H ASP A 109 -10.449 -0.519 -11.165 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.037 2.420 -10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.691 -0.035 -10.252 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.623 1.168 -8.980 1.00 0.00 H new ATOM 1692 N SER A 110 -9.080 0.508 -9.443 1.00 0.00 N ATOM 1693 CA SER A 110 -8.105 0.339 -8.324 1.00 0.00 C ATOM 1694 C SER A 110 -7.365 1.649 -8.034 1.00 0.00 C ATOM 1695 O SER A 110 -7.793 2.431 -7.210 1.00 0.00 O ATOM 1696 CB SER A 110 -7.135 -0.735 -8.810 1.00 0.00 C ATOM 1697 OG SER A 110 -6.098 -0.902 -7.851 1.00 0.00 O ATOM 0 H SER A 110 -8.862 -0.019 -10.289 1.00 0.00 H new ATOM 0 HA SER A 110 -8.598 0.059 -7.393 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.663 -1.677 -8.959 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.712 -0.450 -9.773 1.00 0.00 H new ATOM 0 HG SER A 110 -5.475 -1.592 -8.160 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.252 1.882 -8.693 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.472 3.141 -8.454 1.00 0.00 C ATOM 1705 C GLU A 111 -6.418 4.300 -8.139 1.00 0.00 C ATOM 1706 O GLU A 111 -6.118 5.177 -7.351 1.00 0.00 O ATOM 1707 CB GLU A 111 -4.741 3.411 -9.770 1.00 0.00 C ATOM 1708 CG GLU A 111 -3.232 3.376 -9.533 1.00 0.00 C ATOM 1709 CD GLU A 111 -2.502 3.416 -10.877 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -2.855 4.248 -11.697 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -1.601 2.614 -11.063 1.00 0.00 O ATOM 0 H GLU A 111 -5.850 1.253 -9.388 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.788 3.042 -7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -5.020 2.664 -10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.035 4.382 -10.168 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.930 4.224 -8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.960 2.473 -8.986 1.00 0.00 H new ATOM 1718 N LEU A 112 -7.567 4.291 -8.745 1.00 0.00 N ATOM 1719 CA LEU A 112 -8.560 5.379 -8.485 1.00 0.00 C ATOM 1720 C LEU A 112 -9.049 5.258 -7.051 1.00 0.00 C ATOM 1721 O LEU A 112 -8.731 6.070 -6.208 1.00 0.00 O ATOM 1722 CB LEU A 112 -9.739 5.170 -9.452 1.00 0.00 C ATOM 1723 CG LEU A 112 -9.292 4.443 -10.716 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -10.383 4.564 -11.782 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -7.996 5.069 -11.239 1.00 0.00 C ATOM 0 H LEU A 112 -7.868 3.579 -9.411 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.117 6.364 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.522 4.596 -8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.171 6.135 -9.717 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.118 3.392 -10.488 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.067 4.045 -12.687 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -11.305 4.117 -11.411 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.555 5.616 -12.008 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.679 4.548 -12.142 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.167 6.121 -11.468 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.219 4.985 -10.479 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.807 4.233 -6.760 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.292 4.054 -5.368 1.00 0.00 C ATOM 1739 C GLU A 113 -9.138 4.306 -4.414 1.00 0.00 C ATOM 1740 O GLU A 113 -9.216 5.127 -3.528 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.743 2.591 -5.269 1.00 0.00 C ATOM 1742 CG GLU A 113 -12.073 2.424 -6.003 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.645 1.035 -5.719 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -12.637 0.638 -4.566 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -13.082 0.391 -6.660 1.00 0.00 O ATOM 0 H GLU A 113 -10.107 3.519 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.104 4.737 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.989 1.935 -5.704 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.852 2.302 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.777 3.191 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.927 2.556 -7.075 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.058 3.611 -4.614 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.876 3.795 -3.724 1.00 0.00 C ATOM 1754 C ALA A 114 -6.695 5.273 -3.365 1.00 0.00 C ATOM 1755 O ALA A 114 -6.314 5.609 -2.262 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.686 3.289 -4.539 1.00 0.00 C ATOM 0 H ALA A 114 -7.939 2.921 -5.356 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.985 3.258 -2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.773 3.391 -3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.839 2.240 -4.793 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.596 3.875 -5.454 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.956 6.155 -4.287 1.00 0.00 N ATOM 1763 CA VAL A 115 -6.789 7.608 -3.990 1.00 0.00 C ATOM 1764 C VAL A 115 -8.155 8.284 -3.831 1.00 0.00 C ATOM 1765 O VAL A 115 -8.293 9.273 -3.139 1.00 0.00 O ATOM 1766 CB VAL A 115 -6.032 8.160 -5.193 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -5.473 9.544 -4.855 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -4.879 7.208 -5.529 1.00 0.00 C ATOM 0 H VAL A 115 -7.277 5.937 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.254 7.788 -3.057 1.00 0.00 H new ATOM 0 HB VAL A 115 -6.703 8.245 -6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.932 9.938 -5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.293 10.216 -4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.795 9.465 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.329 7.592 -6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.208 7.133 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.279 6.222 -5.765 1.00 0.00 H new ATOM 1778 N LEU A 116 -9.164 7.752 -4.460 1.00 0.00 N ATOM 1779 CA LEU A 116 -10.525 8.351 -4.340 1.00 0.00 C ATOM 1780 C LEU A 116 -11.110 8.011 -2.968 1.00 0.00 C ATOM 1781 O LEU A 116 -11.887 8.753 -2.400 1.00 0.00 O ATOM 1782 CB LEU A 116 -11.340 7.678 -5.443 1.00 0.00 C ATOM 1783 CG LEU A 116 -12.356 8.663 -6.018 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -13.063 9.402 -4.881 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -11.635 9.673 -6.914 1.00 0.00 C ATOM 0 H LEU A 116 -9.106 6.925 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.521 9.437 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.677 7.325 -6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.854 6.804 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 116 -13.095 8.117 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -13.786 10.103 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -13.579 8.683 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -12.328 9.948 -4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.359 10.377 -7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.894 10.216 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.138 9.147 -7.729 1.00 0.00 H new ATOM 1797 N VAL A 117 -10.736 6.880 -2.447 1.00 0.00 N ATOM 1798 CA VAL A 117 -11.247 6.441 -1.119 1.00 0.00 C ATOM 1799 C VAL A 117 -10.721 7.346 0.002 1.00 0.00 C ATOM 1800 O VAL A 117 -11.107 7.211 1.146 1.00 0.00 O ATOM 1801 CB VAL A 117 -10.681 5.035 -0.962 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.090 4.187 -2.168 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -9.155 5.126 -0.867 1.00 0.00 C ATOM 0 H VAL A 117 -10.088 6.230 -2.891 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.335 6.480 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.071 4.568 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.686 3.180 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.177 4.138 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.698 4.638 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.737 4.126 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.761 5.584 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.880 5.733 -0.005 1.00 0.00 H new ATOM 1813 N GLN A 118 -9.839 8.257 -0.308 1.00 0.00 N ATOM 1814 CA GLN A 118 -9.290 9.148 0.758 1.00 0.00 C ATOM 1815 C GLN A 118 -10.154 10.403 0.911 1.00 0.00 C ATOM 1816 O GLN A 118 -10.023 11.143 1.866 1.00 0.00 O ATOM 1817 CB GLN A 118 -7.884 9.517 0.283 1.00 0.00 C ATOM 1818 CG GLN A 118 -7.242 10.488 1.277 1.00 0.00 C ATOM 1819 CD GLN A 118 -6.752 11.730 0.532 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -6.864 12.835 1.026 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -6.206 11.595 -0.646 1.00 0.00 N ATOM 0 H GLN A 118 -9.476 8.424 -1.246 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.277 8.659 1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -7.273 8.619 0.191 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.932 9.973 -0.706 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -7.964 10.771 2.043 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -6.409 10.005 1.787 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.112 10.668 -1.061 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -5.874 12.416 -1.151 1.00 0.00 H new