USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 590 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 106 ASN :FLIP amide:sc= -3.81 F(o=-6.2!,f=-3.8) USER MOD Set 1.2: A 108 SER OG : rot 180:sc= -0.0365 USER MOD Set 2.1: A 52 SER OG : rot -87:sc= 0.0516 USER MOD Set 2.2: A 54 ASN : amide:sc= -2.79! C(o=-2.7!,f=-2.3!) USER MOD Set 3.1: A 31 SER OG : rot 180:sc= -0.132 USER MOD Set 3.2: A 104 SER OG : rot 122:sc= 1 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -1.82 F(o=-3.1,f=-1.8) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.88! C(o=-6.9!,f=-3.9!) USER MOD Single : A 51 GLN :FLIP amide:sc= -1.79! C(o=-3.8!,f=-1.8!) USER MOD Single : A 61 GLN : amide:sc= -7.05! C(o=-7!,f=-12!) USER MOD Single : A 68 THR OG1 : rot 45:sc= 0.999 USER MOD Single : A 71 THR OG1 : rot -81:sc= 1.63 USER MOD Single : A 80 SER OG : rot 103:sc= 0.3! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 179:sc= 1.01 USER MOD Single : A 92 THR OG1 : rot -1:sc= -0.281! USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -56:sc= 1.13 USER MOD Single : A 98 SER OG : rot 24:sc= 0.136! USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.768 USER MOD Single : A 101 THR OG1 : rot 170:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 28 -12.993 2.686 3.982 1.00 0.00 N ATOM 213 CA GLU A 28 -11.608 2.244 3.724 1.00 0.00 C ATOM 214 C GLU A 28 -11.187 2.905 2.413 1.00 0.00 C ATOM 215 O GLU A 28 -11.081 4.110 2.302 1.00 0.00 O ATOM 216 CB GLU A 28 -11.621 0.715 3.594 1.00 0.00 C ATOM 217 CG GLU A 28 -12.045 0.113 4.936 1.00 0.00 C ATOM 218 CD GLU A 28 -12.138 -1.409 4.792 1.00 0.00 C ATOM 219 OE1 GLU A 28 -11.098 -1.989 4.527 1.00 0.00 O ATOM 220 OE2 GLU A 28 -13.242 -1.901 4.953 1.00 0.00 O ATOM 0 HA GLU A 28 -10.914 2.517 4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.310 0.408 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.633 0.351 3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.324 0.375 5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.007 0.522 5.245 1.00 0.00 H new ATOM 227 N VAL A 29 -10.898 2.051 1.483 1.00 0.00 N ATOM 228 CA VAL A 29 -10.514 2.478 0.105 1.00 0.00 C ATOM 229 C VAL A 29 -10.655 1.320 -0.869 1.00 0.00 C ATOM 230 O VAL A 29 -11.567 1.257 -1.669 1.00 0.00 O ATOM 231 CB VAL A 29 -9.088 3.015 0.018 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.601 2.858 -1.426 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.135 4.509 0.284 1.00 0.00 C ATOM 0 H VAL A 29 -10.911 1.040 1.619 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.194 3.288 -0.157 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.445 2.489 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.582 3.237 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.621 1.804 -1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.253 3.421 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.127 4.920 0.228 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.766 4.992 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.546 4.689 1.278 1.00 0.00 H new ATOM 243 N GLU A 30 -9.711 0.426 -0.752 1.00 0.00 N ATOM 244 CA GLU A 30 -9.695 -0.752 -1.659 1.00 0.00 C ATOM 245 C GLU A 30 -9.359 -2.033 -0.897 1.00 0.00 C ATOM 246 O GLU A 30 -8.239 -2.257 -0.485 1.00 0.00 O ATOM 247 CB GLU A 30 -8.638 -0.511 -2.735 1.00 0.00 C ATOM 248 CG GLU A 30 -8.721 -1.630 -3.774 1.00 0.00 C ATOM 249 CD GLU A 30 -7.732 -1.326 -4.903 1.00 0.00 C ATOM 250 OE1 GLU A 30 -6.552 -1.308 -4.594 1.00 0.00 O ATOM 251 OE2 GLU A 30 -8.214 -1.128 -6.006 1.00 0.00 O ATOM 0 H GLU A 30 -8.954 0.462 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.683 -0.874 -2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.798 0.457 -3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.644 -0.486 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.487 -2.590 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.734 -1.704 -4.169 1.00 0.00 H new ATOM 258 N SER A 31 -10.360 -2.843 -0.711 1.00 0.00 N ATOM 259 CA SER A 31 -10.128 -4.129 -0.004 1.00 0.00 C ATOM 260 C SER A 31 -10.153 -5.255 -1.039 1.00 0.00 C ATOM 261 O SER A 31 -11.197 -5.646 -1.524 1.00 0.00 O ATOM 262 CB SER A 31 -11.225 -4.304 1.039 1.00 0.00 C ATOM 263 OG SER A 31 -11.032 -3.169 1.872 1.00 0.00 O ATOM 0 H SER A 31 -11.319 -2.673 -1.014 1.00 0.00 H new ATOM 0 HA SER A 31 -9.163 -4.145 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.217 -4.314 0.588 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.116 -5.237 1.591 1.00 0.00 H new ATOM 0 HG SER A 31 -11.696 -3.175 2.593 1.00 0.00 H new ATOM 269 N LEU A 32 -8.982 -5.743 -1.349 1.00 0.00 N ATOM 270 CA LEU A 32 -8.879 -6.822 -2.374 1.00 0.00 C ATOM 271 C LEU A 32 -8.208 -8.108 -1.874 1.00 0.00 C ATOM 272 O LEU A 32 -7.289 -8.106 -1.078 1.00 0.00 O ATOM 273 CB LEU A 32 -8.077 -6.284 -3.564 1.00 0.00 C ATOM 274 CG LEU A 32 -8.864 -5.149 -4.231 1.00 0.00 C ATOM 275 CD1 LEU A 32 -7.984 -4.512 -5.309 1.00 0.00 C ATOM 276 CD2 LEU A 32 -10.114 -5.728 -4.904 1.00 0.00 C ATOM 0 H LEU A 32 -8.097 -5.444 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.900 -7.092 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.106 -5.921 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.888 -7.082 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.152 -4.409 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.530 -3.702 -5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.078 -4.116 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.717 -5.264 -6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.676 -4.924 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.817 -6.458 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.739 -6.214 -4.155 1.00 0.00 H new ATOM 288 N LEU A 33 -8.718 -9.187 -2.402 1.00 0.00 N ATOM 289 CA LEU A 33 -8.204 -10.543 -2.069 1.00 0.00 C ATOM 290 C LEU A 33 -7.376 -11.065 -3.249 1.00 0.00 C ATOM 291 O LEU A 33 -7.833 -11.074 -4.376 1.00 0.00 O ATOM 292 CB LEU A 33 -9.405 -11.467 -1.841 1.00 0.00 C ATOM 293 CG LEU A 33 -10.516 -11.109 -2.842 1.00 0.00 C ATOM 294 CD1 LEU A 33 -11.306 -12.375 -3.185 1.00 0.00 C ATOM 295 CD2 LEU A 33 -11.476 -10.109 -2.186 1.00 0.00 C ATOM 0 H LEU A 33 -9.490 -9.183 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.581 -10.509 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.107 -12.508 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.771 -11.362 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.075 -10.680 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.096 -12.130 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.637 -13.113 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.748 -12.785 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.267 -9.849 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.915 -10.557 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.929 -9.209 -1.907 1.00 0.00 H new ATOM 307 N VAL A 34 -6.174 -11.483 -2.964 1.00 0.00 N ATOM 308 CA VAL A 34 -5.295 -11.998 -4.057 1.00 0.00 C ATOM 309 C VAL A 34 -4.644 -13.340 -3.694 1.00 0.00 C ATOM 310 O VAL A 34 -4.797 -13.852 -2.602 1.00 0.00 O ATOM 311 CB VAL A 34 -4.195 -10.956 -4.344 1.00 0.00 C ATOM 312 CG1 VAL A 34 -4.361 -10.452 -5.782 1.00 0.00 C ATOM 313 CG2 VAL A 34 -4.346 -9.765 -3.389 1.00 0.00 C ATOM 0 H VAL A 34 -5.763 -11.492 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.914 -12.163 -4.939 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.215 -11.413 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.589 -9.714 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.268 -11.289 -6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.344 -9.994 -5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.567 -9.032 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.324 -9.305 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.255 -10.111 -2.359 1.00 0.00 H new ATOM 323 N HIS A 35 -3.916 -13.873 -4.639 1.00 0.00 N ATOM 324 CA HIS A 35 -3.230 -15.177 -4.403 1.00 0.00 C ATOM 325 C HIS A 35 -1.712 -14.986 -4.430 1.00 0.00 C ATOM 326 O HIS A 35 -1.223 -13.940 -4.802 1.00 0.00 O ATOM 327 CB HIS A 35 -3.653 -16.150 -5.508 1.00 0.00 C ATOM 328 CG HIS A 35 -4.438 -17.304 -4.881 1.00 0.00 C ATOM 329 ND1 HIS A 35 -5.062 -17.404 -3.649 1.00 0.00 N flip ATOM 330 CD2 HIS A 35 -4.645 -18.451 -5.439 1.00 0.00 C flip ATOM 331 CE1 HIS A 35 -5.610 -18.595 -3.515 1.00 0.00 C flip ATOM 332 NE2 HIS A 35 -5.330 -19.206 -4.640 1.00 0.00 N flip ATOM 0 H HIS A 35 -3.767 -13.464 -5.561 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.509 -15.573 -3.426 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.266 -15.636 -6.248 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.776 -16.531 -6.030 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.300 -18.737 -6.422 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.163 -18.980 -2.671 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.617 -20.160 -4.860 1.00 0.00 H new ATOM 340 N PRO A 36 -1.003 -16.000 -4.013 1.00 0.00 N ATOM 341 CA PRO A 36 0.449 -15.888 -3.738 1.00 0.00 C ATOM 342 C PRO A 36 1.292 -15.894 -5.021 1.00 0.00 C ATOM 343 O PRO A 36 1.864 -16.905 -5.377 1.00 0.00 O ATOM 344 CB PRO A 36 0.770 -17.114 -2.873 1.00 0.00 C ATOM 345 CG PRO A 36 -0.439 -18.090 -3.000 1.00 0.00 C ATOM 346 CD PRO A 36 -1.582 -17.327 -3.699 1.00 0.00 C ATOM 0 HA PRO A 36 0.687 -14.945 -3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.689 -17.593 -3.209 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.924 -16.823 -1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.160 -18.973 -3.575 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.756 -18.437 -2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.909 -17.842 -4.603 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.454 -17.237 -3.051 1.00 0.00 H new ATOM 354 N GLY A 37 1.354 -14.775 -5.695 1.00 0.00 N ATOM 355 CA GLY A 37 2.175 -14.725 -6.939 1.00 0.00 C ATOM 356 C GLY A 37 1.507 -13.872 -8.019 1.00 0.00 C ATOM 357 O GLY A 37 1.618 -14.162 -9.194 1.00 0.00 O ATOM 0 H GLY A 37 0.880 -13.908 -5.443 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.160 -14.318 -6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.328 -15.736 -7.316 1.00 0.00 H new ATOM 361 N ASP A 38 0.827 -12.838 -7.604 1.00 0.00 N ATOM 362 CA ASP A 38 0.149 -11.954 -8.592 1.00 0.00 C ATOM 363 C ASP A 38 0.549 -10.478 -8.427 1.00 0.00 C ATOM 364 O ASP A 38 1.423 -10.124 -7.657 1.00 0.00 O ATOM 365 CB ASP A 38 -1.365 -12.107 -8.391 1.00 0.00 C ATOM 366 CG ASP A 38 -2.107 -11.586 -9.625 1.00 0.00 C ATOM 367 OD1 ASP A 38 -1.862 -12.149 -10.680 1.00 0.00 O ATOM 368 OD2 ASP A 38 -2.875 -10.657 -9.440 1.00 0.00 O ATOM 0 H ASP A 38 0.712 -12.568 -6.627 1.00 0.00 H new ATOM 0 HA ASP A 38 0.451 -12.251 -9.596 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.615 -13.154 -8.220 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.681 -11.556 -7.505 1.00 0.00 H new ATOM 373 N LEU A 39 -0.154 -9.659 -9.162 1.00 0.00 N ATOM 374 CA LEU A 39 0.099 -8.193 -9.150 1.00 0.00 C ATOM 375 C LEU A 39 -1.057 -7.495 -8.449 1.00 0.00 C ATOM 376 O LEU A 39 -2.203 -7.600 -8.840 1.00 0.00 O ATOM 377 CB LEU A 39 0.205 -7.691 -10.593 1.00 0.00 C ATOM 378 CG LEU A 39 1.430 -8.327 -11.264 1.00 0.00 C ATOM 379 CD1 LEU A 39 1.045 -9.695 -11.837 1.00 0.00 C ATOM 380 CD2 LEU A 39 1.887 -7.424 -12.413 1.00 0.00 C ATOM 0 H LEU A 39 -0.908 -9.953 -9.782 1.00 0.00 H new ATOM 0 HA LEU A 39 1.028 -7.978 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.699 -7.945 -11.146 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.292 -6.605 -10.607 1.00 0.00 H new ATOM 0 HG LEU A 39 2.229 -8.446 -10.533 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.914 -10.148 -12.314 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.695 -10.341 -11.032 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.251 -9.571 -12.573 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.758 -7.865 -12.898 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.080 -7.322 -13.139 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.149 -6.441 -12.021 1.00 0.00 H new ATOM 392 N LEU A 40 -0.694 -6.794 -7.416 1.00 0.00 N ATOM 393 CA LEU A 40 -1.705 -6.062 -6.607 1.00 0.00 C ATOM 394 C LEU A 40 -1.300 -4.588 -6.477 1.00 0.00 C ATOM 395 O LEU A 40 -0.134 -4.285 -6.342 1.00 0.00 O ATOM 396 CB LEU A 40 -1.740 -6.770 -5.248 1.00 0.00 C ATOM 397 CG LEU A 40 -1.079 -5.923 -4.160 1.00 0.00 C ATOM 398 CD1 LEU A 40 -2.090 -4.896 -3.650 1.00 0.00 C ATOM 399 CD2 LEU A 40 -0.665 -6.854 -3.016 1.00 0.00 C ATOM 0 H LEU A 40 0.269 -6.695 -7.094 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.694 -6.069 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.773 -6.978 -4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.230 -7.731 -5.323 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.205 -5.403 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.629 -4.286 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.406 -4.256 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.957 -5.412 -3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.190 -6.271 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.547 -7.355 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.037 -7.599 -3.389 1.00 0.00 H new ATOM 411 N GLN A 41 -2.253 -3.697 -6.537 1.00 0.00 N ATOM 412 CA GLN A 41 -1.893 -2.250 -6.412 1.00 0.00 C ATOM 413 C GLN A 41 -2.858 -1.455 -5.517 1.00 0.00 C ATOM 414 O GLN A 41 -4.042 -1.726 -5.468 1.00 0.00 O ATOM 415 CB GLN A 41 -1.887 -1.614 -7.812 1.00 0.00 C ATOM 416 CG GLN A 41 -1.124 -2.522 -8.789 1.00 0.00 C ATOM 417 CD GLN A 41 -2.020 -3.672 -9.267 1.00 0.00 C ATOM 418 OE1 GLN A 41 -3.264 -3.735 -8.873 1.00 0.00 O flip ATOM 419 NE2 GLN A 41 -1.592 -4.530 -10.014 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.245 -3.899 -6.664 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.910 -2.209 -5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.910 -1.467 -8.160 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.419 -0.630 -7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.783 -1.939 -9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.235 -2.924 -8.302 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.623 -4.494 -10.330 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.202 -5.286 -10.325 1.00 0.00 H new ATOM 428 N LEU A 42 -2.305 -0.489 -4.829 1.00 0.00 N ATOM 429 CA LEU A 42 -3.112 0.390 -3.933 1.00 0.00 C ATOM 430 C LEU A 42 -2.775 1.831 -4.306 1.00 0.00 C ATOM 431 O LEU A 42 -1.650 2.250 -4.131 1.00 0.00 O ATOM 432 CB LEU A 42 -2.719 0.160 -2.458 1.00 0.00 C ATOM 433 CG LEU A 42 -1.330 -0.486 -2.361 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.733 -0.182 -0.978 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.479 -1.998 -2.493 1.00 0.00 C ATOM 0 H LEU A 42 -1.309 -0.269 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.174 0.175 -4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.722 1.110 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.458 -0.480 -1.975 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.686 -0.095 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.254 -0.637 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.647 0.897 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.383 -0.590 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.498 -2.468 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.116 -2.372 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.930 -2.236 -3.456 1.00 0.00 H new ATOM 447 N ARG A 43 -3.732 2.543 -4.831 1.00 0.00 N ATOM 448 CA ARG A 43 -3.462 3.956 -5.224 1.00 0.00 C ATOM 449 C ARG A 43 -4.077 4.905 -4.204 1.00 0.00 C ATOM 450 O ARG A 43 -5.276 4.938 -4.020 1.00 0.00 O ATOM 451 CB ARG A 43 -4.075 4.188 -6.603 1.00 0.00 C ATOM 452 CG ARG A 43 -3.639 5.558 -7.130 1.00 0.00 C ATOM 453 CD ARG A 43 -3.595 5.489 -8.658 1.00 0.00 C ATOM 454 NE ARG A 43 -4.824 4.784 -9.125 1.00 0.00 N ATOM 455 CZ ARG A 43 -5.604 5.342 -10.012 1.00 0.00 C ATOM 456 NH1 ARG A 43 -5.836 6.625 -9.947 1.00 0.00 N ATOM 457 NH2 ARG A 43 -6.134 4.591 -10.938 1.00 0.00 N ATOM 0 H ARG A 43 -4.681 2.213 -5.004 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.389 4.144 -5.257 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.758 3.404 -7.291 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.162 4.139 -6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.336 6.330 -6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.659 5.824 -6.733 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.546 6.491 -9.083 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.702 4.958 -8.990 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.056 3.864 -8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.409 7.184 -9.208 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.444 7.069 -10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.936 3.591 -10.959 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.746 5.004 -11.641 1.00 0.00 H new ATOM 471 N CYS A 44 -3.242 5.750 -3.664 1.00 0.00 N ATOM 472 CA CYS A 44 -3.727 6.694 -2.615 1.00 0.00 C ATOM 473 C CYS A 44 -4.484 7.891 -3.202 1.00 0.00 C ATOM 474 O CYS A 44 -5.284 7.742 -4.105 1.00 0.00 O ATOM 475 CB CYS A 44 -2.505 7.208 -1.849 1.00 0.00 C ATOM 476 SG CYS A 44 -2.699 7.592 -0.092 1.00 0.00 S ATOM 0 H CYS A 44 -2.253 5.828 -3.900 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.422 6.159 -1.968 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.716 6.462 -1.942 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.152 8.109 -2.350 1.00 0.00 H new ATOM 481 N ARG A 45 -4.249 9.036 -2.620 1.00 0.00 N ATOM 482 CA ARG A 45 -4.931 10.284 -3.083 1.00 0.00 C ATOM 483 C ARG A 45 -4.160 11.520 -2.608 1.00 0.00 C ATOM 484 O ARG A 45 -4.315 11.918 -1.471 1.00 0.00 O ATOM 485 CB ARG A 45 -6.346 10.311 -2.484 1.00 0.00 C ATOM 486 CG ARG A 45 -6.276 9.816 -1.030 1.00 0.00 C ATOM 487 CD ARG A 45 -6.923 10.845 -0.092 1.00 0.00 C ATOM 488 NE ARG A 45 -8.379 10.929 -0.400 1.00 0.00 N ATOM 489 CZ ARG A 45 -9.213 10.124 0.199 1.00 0.00 C ATOM 490 NH1 ARG A 45 -9.870 9.253 -0.518 1.00 0.00 N ATOM 491 NH2 ARG A 45 -9.368 10.214 1.492 1.00 0.00 N ATOM 0 H ARG A 45 -3.608 9.163 -1.837 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.972 10.295 -4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.752 11.322 -2.520 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.015 9.678 -3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.787 8.857 -0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.237 9.653 -0.743 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.774 10.554 0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.453 11.820 -0.221 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.722 11.612 -1.075 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.727 9.211 -1.527 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.527 8.615 -0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.840 10.908 2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.017 9.591 1.972 1.00 0.00 H new ATOM 505 N LEU A 46 -3.345 12.117 -3.443 1.00 0.00 N ATOM 506 CA LEU A 46 -2.617 13.312 -2.928 1.00 0.00 C ATOM 507 C LEU A 46 -2.786 14.524 -3.851 1.00 0.00 C ATOM 508 O LEU A 46 -3.296 14.417 -4.950 1.00 0.00 O ATOM 509 CB LEU A 46 -1.119 12.980 -2.751 1.00 0.00 C ATOM 510 CG LEU A 46 -0.703 11.725 -3.537 1.00 0.00 C ATOM 511 CD1 LEU A 46 0.829 11.691 -3.576 1.00 0.00 C ATOM 512 CD2 LEU A 46 -1.176 10.466 -2.800 1.00 0.00 C ATOM 0 H LEU A 46 -3.159 11.846 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.048 13.574 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.520 13.828 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.905 12.831 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.138 11.753 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.159 10.811 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.200 12.589 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.218 11.649 -2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.878 9.581 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.725 10.434 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.262 10.486 -2.705 1.00 0.00 H new ATOM 524 N ARG A 47 -2.356 15.659 -3.370 1.00 0.00 N ATOM 525 CA ARG A 47 -2.485 16.900 -4.190 1.00 0.00 C ATOM 526 C ARG A 47 -1.342 17.866 -3.867 1.00 0.00 C ATOM 527 O ARG A 47 -0.300 17.457 -3.391 1.00 0.00 O ATOM 528 CB ARG A 47 -3.833 17.563 -3.868 1.00 0.00 C ATOM 529 CG ARG A 47 -4.897 17.063 -4.858 1.00 0.00 C ATOM 530 CD ARG A 47 -6.061 18.061 -4.844 1.00 0.00 C ATOM 531 NE ARG A 47 -6.992 17.732 -5.960 1.00 0.00 N ATOM 532 CZ ARG A 47 -7.274 18.647 -6.849 1.00 0.00 C ATOM 533 NH1 ARG A 47 -7.748 19.792 -6.443 1.00 0.00 N ATOM 534 NH2 ARG A 47 -7.080 18.405 -8.117 1.00 0.00 N ATOM 0 H ARG A 47 -1.925 15.782 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.436 16.647 -5.249 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.132 17.328 -2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.742 18.647 -3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.477 16.981 -5.860 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.244 16.069 -4.576 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.585 18.015 -3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.686 19.079 -4.953 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.405 16.802 -6.029 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.892 19.960 -5.447 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.974 20.520 -7.121 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.709 17.502 -8.413 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.300 19.119 -8.812 1.00 0.00 H new ATOM 548 N ASP A 48 -1.559 19.126 -4.135 1.00 0.00 N ATOM 549 CA ASP A 48 -0.500 20.131 -3.838 1.00 0.00 C ATOM 550 C ASP A 48 -0.506 20.431 -2.335 1.00 0.00 C ATOM 551 O ASP A 48 -0.182 21.520 -1.903 1.00 0.00 O ATOM 552 CB ASP A 48 -0.805 21.410 -4.627 1.00 0.00 C ATOM 553 CG ASP A 48 0.385 22.369 -4.522 1.00 0.00 C ATOM 554 OD1 ASP A 48 1.434 21.985 -5.010 1.00 0.00 O ATOM 555 OD2 ASP A 48 0.174 23.432 -3.959 1.00 0.00 O ATOM 0 H ASP A 48 -2.416 19.500 -4.543 1.00 0.00 H new ATOM 0 HA ASP A 48 0.480 19.750 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.000 21.168 -5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.705 21.885 -4.237 1.00 0.00 H new ATOM 560 N ASP A 49 -0.880 19.436 -1.577 1.00 0.00 N ATOM 561 CA ASP A 49 -0.925 19.588 -0.097 1.00 0.00 C ATOM 562 C ASP A 49 -0.017 18.516 0.499 1.00 0.00 C ATOM 563 O ASP A 49 1.077 18.806 0.942 1.00 0.00 O ATOM 564 CB ASP A 49 -2.368 19.381 0.377 1.00 0.00 C ATOM 565 CG ASP A 49 -3.267 20.429 -0.285 1.00 0.00 C ATOM 566 OD1 ASP A 49 -3.456 20.301 -1.484 1.00 0.00 O ATOM 567 OD2 ASP A 49 -3.711 21.297 0.448 1.00 0.00 O ATOM 0 H ASP A 49 -1.158 18.518 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.592 20.578 0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.708 18.378 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.424 19.469 1.462 1.00 0.00 H new ATOM 572 N VAL A 50 -0.483 17.295 0.475 1.00 0.00 N ATOM 573 CA VAL A 50 0.345 16.189 1.011 1.00 0.00 C ATOM 574 C VAL A 50 1.507 15.930 0.054 1.00 0.00 C ATOM 575 O VAL A 50 1.394 16.076 -1.147 1.00 0.00 O ATOM 576 CB VAL A 50 -0.532 14.940 1.140 1.00 0.00 C ATOM 577 CG1 VAL A 50 -1.543 15.178 2.265 1.00 0.00 C ATOM 578 CG2 VAL A 50 -1.300 14.732 -0.168 1.00 0.00 C ATOM 0 H VAL A 50 -1.395 17.022 0.109 1.00 0.00 H new ATOM 0 HA VAL A 50 0.747 16.448 1.991 1.00 0.00 H new ATOM 0 HB VAL A 50 0.084 14.067 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.179 14.300 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.012 15.360 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.159 16.044 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.927 13.844 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.927 15.602 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.594 14.601 -0.988 1.00 0.00 H new ATOM 588 N GLN A 51 2.601 15.552 0.645 1.00 0.00 N ATOM 589 CA GLN A 51 3.841 15.281 -0.134 1.00 0.00 C ATOM 590 C GLN A 51 4.458 13.959 0.310 1.00 0.00 C ATOM 591 O GLN A 51 5.238 13.366 -0.409 1.00 0.00 O ATOM 592 CB GLN A 51 4.835 16.410 0.132 1.00 0.00 C ATOM 593 CG GLN A 51 4.120 17.732 -0.124 1.00 0.00 C ATOM 594 CD GLN A 51 4.704 18.806 0.792 1.00 0.00 C ATOM 595 OE1 GLN A 51 3.872 19.490 1.526 1.00 0.00 O flip ATOM 596 NE2 GLN A 51 5.897 19.030 0.847 1.00 0.00 N flip ATOM 0 H GLN A 51 2.692 15.416 1.652 1.00 0.00 H new ATOM 0 HA GLN A 51 3.602 15.223 -1.196 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.198 16.365 1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.705 16.314 -0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.236 18.025 -1.167 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.051 17.622 0.060 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.544 18.492 0.271 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.251 19.756 1.470 1.00 0.00 H new ATOM 605 N SER A 52 4.096 13.523 1.487 1.00 0.00 N ATOM 606 CA SER A 52 4.668 12.245 1.976 1.00 0.00 C ATOM 607 C SER A 52 3.524 11.251 2.026 1.00 0.00 C ATOM 608 O SER A 52 2.521 11.513 2.658 1.00 0.00 O ATOM 609 CB SER A 52 5.237 12.463 3.381 1.00 0.00 C ATOM 610 OG SER A 52 5.763 11.191 3.732 1.00 0.00 O ATOM 0 H SER A 52 3.442 13.988 2.117 1.00 0.00 H new ATOM 0 HA SER A 52 5.468 11.882 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.010 13.231 3.385 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.465 12.784 4.080 1.00 0.00 H new ATOM 0 HG SER A 52 5.056 10.644 4.133 1.00 0.00 H new ATOM 616 N ILE A 53 3.667 10.175 1.307 1.00 0.00 N ATOM 617 CA ILE A 53 2.592 9.153 1.314 1.00 0.00 C ATOM 618 C ILE A 53 3.161 7.887 1.929 1.00 0.00 C ATOM 619 O ILE A 53 3.998 7.216 1.357 1.00 0.00 O ATOM 620 CB ILE A 53 2.158 8.882 -0.114 1.00 0.00 C ATOM 621 CG1 ILE A 53 1.630 10.179 -0.747 1.00 0.00 C ATOM 622 CG2 ILE A 53 1.044 7.829 -0.113 1.00 0.00 C ATOM 623 CD1 ILE A 53 0.627 10.853 0.187 1.00 0.00 C ATOM 0 H ILE A 53 4.474 9.962 0.721 1.00 0.00 H new ATOM 0 HA ILE A 53 1.730 9.496 1.887 1.00 0.00 H new ATOM 0 HB ILE A 53 3.009 8.518 -0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.459 10.856 -0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.156 9.958 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.729 7.631 -1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.414 6.908 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.195 8.198 0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.261 11.771 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.210 10.179 0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.114 11.091 1.133 1.00 0.00 H new ATOM 635 N ASN A 54 2.674 7.605 3.099 1.00 0.00 N ATOM 636 CA ASN A 54 3.148 6.399 3.825 1.00 0.00 C ATOM 637 C ASN A 54 2.111 5.295 3.674 1.00 0.00 C ATOM 638 O ASN A 54 0.938 5.547 3.857 1.00 0.00 O ATOM 639 CB ASN A 54 3.264 6.733 5.304 1.00 0.00 C ATOM 640 CG ASN A 54 3.011 8.216 5.547 1.00 0.00 C ATOM 641 OD1 ASN A 54 3.610 9.087 4.948 1.00 0.00 O ATOM 642 ND2 ASN A 54 2.116 8.525 6.442 1.00 0.00 N ATOM 0 H ASN A 54 1.968 8.157 3.586 1.00 0.00 H new ATOM 0 HA ASN A 54 4.110 6.080 3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.548 6.140 5.872 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.257 6.465 5.665 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.914 9.504 6.644 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.618 7.788 6.940 1.00 0.00 H new ATOM 649 N TRP A 55 2.537 4.099 3.379 1.00 0.00 N ATOM 650 CA TRP A 55 1.528 3.021 3.235 1.00 0.00 C ATOM 651 C TRP A 55 1.626 2.141 4.478 1.00 0.00 C ATOM 652 O TRP A 55 2.543 1.357 4.613 1.00 0.00 O ATOM 653 CB TRP A 55 1.856 2.247 1.970 1.00 0.00 C ATOM 654 CG TRP A 55 1.589 3.171 0.776 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.496 3.986 0.163 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.413 3.263 0.131 1.00 0.00 C ATOM 657 NE1 TRP A 55 1.797 4.506 -0.829 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.529 4.136 -0.929 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.785 2.627 0.375 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.551 4.369 -1.751 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.868 2.858 -0.447 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.751 3.729 -1.514 1.00 0.00 C ATOM 0 H TRP A 55 3.510 3.828 3.236 1.00 0.00 H new ATOM 0 HA TRP A 55 0.510 3.402 3.152 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.897 1.924 1.978 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.244 1.348 1.902 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.529 4.162 0.424 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.214 5.163 -1.488 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.876 1.948 1.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.459 5.053 -2.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.807 2.359 -0.257 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.597 3.908 -2.161 1.00 0.00 H new ATOM 673 N LEU A 56 0.676 2.270 5.363 1.00 0.00 N ATOM 674 CA LEU A 56 0.753 1.459 6.602 1.00 0.00 C ATOM 675 C LEU A 56 0.262 0.049 6.288 1.00 0.00 C ATOM 676 O LEU A 56 -0.920 -0.160 6.096 1.00 0.00 O ATOM 677 CB LEU A 56 -0.156 2.048 7.692 1.00 0.00 C ATOM 678 CG LEU A 56 -0.205 3.575 7.605 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.009 4.087 8.803 1.00 0.00 C ATOM 680 CD2 LEU A 56 1.208 4.154 7.683 1.00 0.00 C ATOM 0 H LEU A 56 -0.131 2.888 5.283 1.00 0.00 H new ATOM 0 HA LEU A 56 1.784 1.453 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.162 1.643 7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.209 1.748 8.675 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.661 3.877 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.061 5.175 8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.017 3.674 8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.522 3.777 9.727 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.160 5.241 7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.668 3.865 8.628 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.805 3.769 6.856 1.00 0.00 H new ATOM 692 N ARG A 57 1.172 -0.884 6.262 1.00 0.00 N ATOM 693 CA ARG A 57 0.765 -2.280 5.952 1.00 0.00 C ATOM 694 C ARG A 57 0.176 -2.891 7.213 1.00 0.00 C ATOM 695 O ARG A 57 0.530 -2.504 8.305 1.00 0.00 O ATOM 696 CB ARG A 57 1.992 -3.093 5.542 1.00 0.00 C ATOM 697 CG ARG A 57 1.585 -4.570 5.478 1.00 0.00 C ATOM 698 CD ARG A 57 2.830 -5.446 5.350 1.00 0.00 C ATOM 699 NE ARG A 57 2.369 -6.855 5.190 1.00 0.00 N ATOM 700 CZ ARG A 57 2.181 -7.599 6.248 1.00 0.00 C ATOM 701 NH1 ARG A 57 2.204 -7.032 7.425 1.00 0.00 N ATOM 702 NH2 ARG A 57 1.968 -8.881 6.113 1.00 0.00 N ATOM 0 H ARG A 57 2.166 -0.743 6.439 1.00 0.00 H new ATOM 0 HA ARG A 57 0.038 -2.285 5.140 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.364 -2.758 4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.800 -2.952 6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.028 -4.842 6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.923 -4.737 4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.429 -5.139 4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.462 -5.347 6.233 1.00 0.00 H new ATOM 0 HE ARG A 57 2.201 -7.236 4.259 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.366 -6.028 7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.060 -7.593 8.264 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.949 -9.300 5.183 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.821 -9.463 6.938 1.00 0.00 H new ATOM 716 N ASP A 58 -0.768 -3.767 7.019 1.00 0.00 N ATOM 717 CA ASP A 58 -1.410 -4.445 8.180 1.00 0.00 C ATOM 718 C ASP A 58 -2.136 -3.395 9.017 1.00 0.00 C ATOM 719 O ASP A 58 -3.342 -3.273 8.940 1.00 0.00 O ATOM 720 CB ASP A 58 -0.330 -5.140 9.023 1.00 0.00 C ATOM 721 CG ASP A 58 -0.991 -5.953 10.144 1.00 0.00 C ATOM 722 OD1 ASP A 58 -2.175 -6.218 10.010 1.00 0.00 O ATOM 723 OD2 ASP A 58 -0.265 -6.271 11.071 1.00 0.00 O ATOM 0 H ASP A 58 -1.124 -4.044 6.104 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.124 -5.193 7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.272 -5.795 8.392 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.346 -4.398 9.449 1.00 0.00 H new ATOM 728 N GLY A 59 -1.365 -2.682 9.797 1.00 0.00 N ATOM 729 CA GLY A 59 -1.927 -1.599 10.653 1.00 0.00 C ATOM 730 C GLY A 59 -0.805 -0.649 11.103 1.00 0.00 C ATOM 731 O GLY A 59 -0.966 0.098 12.048 1.00 0.00 O ATOM 0 H GLY A 59 -0.356 -2.808 9.877 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.685 -1.044 10.100 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.420 -2.031 11.524 1.00 0.00 H new ATOM 735 N VAL A 60 0.306 -0.697 10.412 1.00 0.00 N ATOM 736 CA VAL A 60 1.459 0.177 10.776 1.00 0.00 C ATOM 737 C VAL A 60 2.240 0.609 9.526 1.00 0.00 C ATOM 738 O VAL A 60 2.196 -0.039 8.500 1.00 0.00 O ATOM 739 CB VAL A 60 2.396 -0.604 11.707 1.00 0.00 C ATOM 740 CG1 VAL A 60 1.664 -0.916 13.017 1.00 0.00 C ATOM 741 CG2 VAL A 60 2.783 -1.925 11.034 1.00 0.00 C ATOM 0 H VAL A 60 0.463 -1.306 9.609 1.00 0.00 H new ATOM 0 HA VAL A 60 1.079 1.070 11.271 1.00 0.00 H new ATOM 0 HB VAL A 60 3.287 -0.010 11.911 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.327 -1.471 13.681 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.366 0.016 13.498 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.778 -1.515 12.805 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.449 -2.486 11.690 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.885 -2.512 10.841 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.291 -1.718 10.092 1.00 0.00 H new ATOM 751 N GLN A 61 2.950 1.696 9.671 1.00 0.00 N ATOM 752 CA GLN A 61 3.766 2.256 8.549 1.00 0.00 C ATOM 753 C GLN A 61 4.448 1.197 7.675 1.00 0.00 C ATOM 754 O GLN A 61 4.990 0.230 8.171 1.00 0.00 O ATOM 755 CB GLN A 61 4.838 3.155 9.166 1.00 0.00 C ATOM 756 CG GLN A 61 5.727 3.713 8.054 1.00 0.00 C ATOM 757 CD GLN A 61 4.842 4.481 7.075 1.00 0.00 C ATOM 758 OE1 GLN A 61 4.087 5.352 7.461 1.00 0.00 O ATOM 759 NE2 GLN A 61 4.898 4.185 5.805 1.00 0.00 N ATOM 0 H GLN A 61 3.001 2.232 10.537 1.00 0.00 H new ATOM 0 HA GLN A 61 3.087 2.796 7.889 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.372 3.970 9.719 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.438 2.589 9.878 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.491 4.369 8.471 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.247 2.904 7.542 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.531 3.454 5.479 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.309 4.684 5.139 1.00 0.00 H new ATOM 768 N LEU A 62 4.400 1.412 6.384 1.00 0.00 N ATOM 769 CA LEU A 62 5.060 0.445 5.459 1.00 0.00 C ATOM 770 C LEU A 62 5.346 1.046 4.071 1.00 0.00 C ATOM 771 O LEU A 62 4.586 1.822 3.517 1.00 0.00 O ATOM 772 CB LEU A 62 4.160 -0.788 5.307 1.00 0.00 C ATOM 773 CG LEU A 62 4.999 -2.079 5.180 1.00 0.00 C ATOM 774 CD1 LEU A 62 6.073 -1.925 4.101 1.00 0.00 C ATOM 775 CD2 LEU A 62 5.683 -2.369 6.521 1.00 0.00 C ATOM 0 H LEU A 62 3.939 2.204 5.937 1.00 0.00 H new ATOM 0 HA LEU A 62 6.023 0.177 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.496 -0.866 6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.528 -0.674 4.427 1.00 0.00 H new ATOM 0 HG LEU A 62 4.335 -2.898 4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.651 -2.846 4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.598 -1.719 3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.736 -1.100 4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.277 -3.279 6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.333 -1.535 6.786 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.926 -2.499 7.295 1.00 0.00 H new ATOM 787 N VAL A 63 6.548 0.758 3.655 1.00 0.00 N ATOM 788 CA VAL A 63 7.061 1.162 2.316 1.00 0.00 C ATOM 789 C VAL A 63 8.282 0.276 2.035 1.00 0.00 C ATOM 790 O VAL A 63 9.378 0.581 2.461 1.00 0.00 O ATOM 791 CB VAL A 63 7.387 2.663 2.360 1.00 0.00 C ATOM 792 CG1 VAL A 63 8.144 2.990 3.655 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.252 3.061 1.163 1.00 0.00 C ATOM 0 H VAL A 63 7.223 0.237 4.214 1.00 0.00 H new ATOM 0 HA VAL A 63 6.342 1.023 1.509 1.00 0.00 H new ATOM 0 HB VAL A 63 6.451 3.220 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.374 4.055 3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.525 2.729 4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.071 2.418 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.472 4.127 1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.184 2.497 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.717 2.843 0.239 1.00 0.00 H new ATOM 843 N ARG A 67 9.919 -6.964 -3.396 1.00 0.00 N ATOM 844 CA ARG A 67 8.979 -7.374 -4.482 1.00 0.00 C ATOM 845 C ARG A 67 7.865 -6.339 -4.651 1.00 0.00 C ATOM 846 O ARG A 67 6.894 -6.553 -5.353 1.00 0.00 O ATOM 847 CB ARG A 67 8.372 -8.728 -4.117 1.00 0.00 C ATOM 848 CG ARG A 67 9.509 -9.742 -3.969 1.00 0.00 C ATOM 849 CD ARG A 67 8.902 -11.143 -3.905 1.00 0.00 C ATOM 850 NE ARG A 67 9.995 -12.115 -3.622 1.00 0.00 N ATOM 851 CZ ARG A 67 9.874 -12.937 -2.616 1.00 0.00 C ATOM 852 NH1 ARG A 67 8.697 -13.432 -2.351 1.00 0.00 N ATOM 853 NH2 ARG A 67 10.931 -13.234 -1.911 1.00 0.00 N ATOM 0 HA ARG A 67 9.525 -7.445 -5.423 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.808 -8.653 -3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.673 -9.051 -4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.197 -9.665 -4.811 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.085 -9.537 -3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.140 -11.191 -3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.411 -11.387 -4.847 1.00 0.00 H new ATOM 0 HE ARG A 67 10.829 -12.138 -4.209 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.894 -13.175 -2.925 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.579 -14.077 -1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.835 -12.825 -2.150 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.854 -13.875 -1.121 1.00 0.00 H new ATOM 867 N THR A 68 8.026 -5.233 -3.979 1.00 0.00 N ATOM 868 CA THR A 68 7.009 -4.165 -4.097 1.00 0.00 C ATOM 869 C THR A 68 7.693 -2.860 -4.494 1.00 0.00 C ATOM 870 O THR A 68 8.838 -2.608 -4.178 1.00 0.00 O ATOM 871 CB THR A 68 6.312 -3.993 -2.749 1.00 0.00 C ATOM 872 OG1 THR A 68 5.480 -2.857 -2.930 1.00 0.00 O ATOM 873 CG2 THR A 68 7.304 -3.554 -1.677 1.00 0.00 C ATOM 0 H THR A 68 8.811 -5.028 -3.361 1.00 0.00 H new ATOM 0 HA THR A 68 6.274 -4.431 -4.857 1.00 0.00 H new ATOM 0 HB THR A 68 5.817 -4.919 -2.457 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.017 -2.925 -3.791 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.784 -3.438 -0.726 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.085 -4.307 -1.574 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.752 -2.603 -1.964 1.00 0.00 H new ATOM 881 N ARG A 69 6.936 -2.065 -5.183 1.00 0.00 N ATOM 882 CA ARG A 69 7.430 -0.746 -5.640 1.00 0.00 C ATOM 883 C ARG A 69 6.508 0.252 -4.959 1.00 0.00 C ATOM 884 O ARG A 69 5.405 0.493 -5.407 1.00 0.00 O ATOM 885 CB ARG A 69 7.293 -0.659 -7.161 1.00 0.00 C ATOM 886 CG ARG A 69 8.379 0.279 -7.682 1.00 0.00 C ATOM 887 CD ARG A 69 8.177 0.477 -9.185 1.00 0.00 C ATOM 888 NE ARG A 69 9.179 1.472 -9.660 1.00 0.00 N ATOM 889 CZ ARG A 69 10.034 1.130 -10.584 1.00 0.00 C ATOM 890 NH1 ARG A 69 11.274 0.907 -10.245 1.00 0.00 N ATOM 891 NH2 ARG A 69 9.618 1.021 -11.817 1.00 0.00 N ATOM 0 H ARG A 69 5.976 -2.278 -5.454 1.00 0.00 H new ATOM 0 HA ARG A 69 8.477 -0.566 -5.398 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.396 -1.647 -7.610 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.306 -0.287 -7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.330 1.237 -7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.366 -0.140 -7.485 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.300 -0.469 -9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.166 0.828 -9.390 1.00 0.00 H new ATOM 0 HE ARG A 69 9.196 2.413 -9.266 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.561 1.001 -9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.956 0.639 -10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.640 1.202 -12.043 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.271 0.755 -12.554 1.00 0.00 H new ATOM 905 N ILE A 70 6.939 0.730 -3.828 1.00 0.00 N ATOM 906 CA ILE A 70 6.083 1.697 -3.097 1.00 0.00 C ATOM 907 C ILE A 70 6.389 3.123 -3.533 1.00 0.00 C ATOM 908 O ILE A 70 7.434 3.657 -3.223 1.00 0.00 O ATOM 909 CB ILE A 70 6.347 1.574 -1.596 1.00 0.00 C ATOM 910 CG1 ILE A 70 7.803 1.132 -1.309 1.00 0.00 C ATOM 911 CG2 ILE A 70 5.452 0.477 -1.015 1.00 0.00 C ATOM 912 CD1 ILE A 70 8.824 2.100 -1.911 1.00 0.00 C ATOM 0 H ILE A 70 7.829 0.499 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 70 5.040 1.472 -3.319 1.00 0.00 H new ATOM 0 HB ILE A 70 6.153 2.551 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.957 1.066 -0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.966 0.134 -1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.637 0.386 0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.406 0.734 -1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.675 -0.471 -1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.832 1.752 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.689 2.146 -2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.679 3.093 -1.485 1.00 0.00 H new ATOM 924 N THR A 71 5.485 3.739 -4.240 1.00 0.00 N ATOM 925 CA THR A 71 5.796 5.124 -4.646 1.00 0.00 C ATOM 926 C THR A 71 4.979 6.094 -3.790 1.00 0.00 C ATOM 927 O THR A 71 3.880 5.791 -3.363 1.00 0.00 O ATOM 928 CB THR A 71 5.461 5.330 -6.118 1.00 0.00 C ATOM 929 OG1 THR A 71 4.079 5.626 -6.082 1.00 0.00 O ATOM 930 CG2 THR A 71 5.556 4.012 -6.898 1.00 0.00 C ATOM 0 H THR A 71 4.586 3.361 -4.540 1.00 0.00 H new ATOM 0 HA THR A 71 6.860 5.310 -4.501 1.00 0.00 H new ATOM 0 HB THR A 71 6.118 6.071 -6.574 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.568 4.793 -6.006 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.312 4.190 -7.945 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.569 3.618 -6.824 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.854 3.290 -6.480 1.00 0.00 H new ATOM 938 N GLY A 72 5.573 7.229 -3.547 1.00 0.00 N ATOM 939 CA GLY A 72 4.916 8.290 -2.732 1.00 0.00 C ATOM 940 C GLY A 72 3.486 8.629 -3.176 1.00 0.00 C ATOM 941 O GLY A 72 2.947 9.630 -2.754 1.00 0.00 O ATOM 0 H GLY A 72 6.504 7.471 -3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.895 7.971 -1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.522 9.195 -2.777 1.00 0.00 H new ATOM 945 N GLU A 73 2.917 7.851 -4.057 1.00 0.00 N ATOM 946 CA GLU A 73 1.512 8.134 -4.474 1.00 0.00 C ATOM 947 C GLU A 73 0.720 6.827 -4.621 1.00 0.00 C ATOM 948 O GLU A 73 -0.475 6.777 -4.406 1.00 0.00 O ATOM 949 CB GLU A 73 1.534 8.874 -5.819 1.00 0.00 C ATOM 950 CG GLU A 73 2.318 8.044 -6.841 1.00 0.00 C ATOM 951 CD GLU A 73 2.217 8.721 -8.211 1.00 0.00 C ATOM 952 OE1 GLU A 73 1.155 8.594 -8.797 1.00 0.00 O ATOM 953 OE2 GLU A 73 3.205 9.329 -8.587 1.00 0.00 O ATOM 0 H GLU A 73 3.355 7.044 -4.501 1.00 0.00 H new ATOM 0 HA GLU A 73 1.029 8.748 -3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.516 9.040 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.994 9.855 -5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.362 7.960 -6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.918 7.031 -6.890 1.00 0.00 H new ATOM 960 N GLU A 74 1.406 5.770 -4.955 1.00 0.00 N ATOM 961 CA GLU A 74 0.685 4.486 -5.144 1.00 0.00 C ATOM 962 C GLU A 74 1.650 3.366 -4.814 1.00 0.00 C ATOM 963 O GLU A 74 2.839 3.499 -5.008 1.00 0.00 O ATOM 964 CB GLU A 74 0.250 4.378 -6.611 1.00 0.00 C ATOM 965 CG GLU A 74 -0.293 2.967 -6.876 1.00 0.00 C ATOM 966 CD GLU A 74 -0.574 2.809 -8.373 1.00 0.00 C ATOM 967 OE1 GLU A 74 0.395 2.872 -9.113 1.00 0.00 O ATOM 968 OE2 GLU A 74 -1.739 2.632 -8.688 1.00 0.00 O ATOM 0 H GLU A 74 2.415 5.740 -5.102 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.195 4.428 -4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.516 5.122 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.094 4.585 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.429 2.219 -6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.205 2.802 -6.303 1.00 0.00 H new ATOM 975 N VAL A 75 1.129 2.291 -4.318 1.00 0.00 N ATOM 976 CA VAL A 75 2.030 1.165 -3.983 1.00 0.00 C ATOM 977 C VAL A 75 1.694 -0.021 -4.858 1.00 0.00 C ATOM 978 O VAL A 75 0.548 -0.410 -4.953 1.00 0.00 O ATOM 979 CB VAL A 75 1.834 0.825 -2.521 1.00 0.00 C ATOM 980 CG1 VAL A 75 2.444 -0.548 -2.217 1.00 0.00 C ATOM 981 CG2 VAL A 75 2.555 1.900 -1.733 1.00 0.00 C ATOM 0 H VAL A 75 0.137 2.141 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 75 3.072 1.435 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 75 0.776 0.785 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.299 -0.785 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.957 -1.306 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.511 -0.530 -2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.446 1.704 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.613 1.897 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.125 2.874 -1.969 1.00 0.00 H new ATOM 991 N GLU A 76 2.696 -0.510 -5.531 1.00 0.00 N ATOM 992 CA GLU A 76 2.455 -1.698 -6.401 1.00 0.00 C ATOM 993 C GLU A 76 3.209 -2.913 -5.852 1.00 0.00 C ATOM 994 O GLU A 76 4.357 -2.804 -5.483 1.00 0.00 O ATOM 995 CB GLU A 76 2.949 -1.366 -7.809 1.00 0.00 C ATOM 996 CG GLU A 76 2.134 -0.180 -8.338 1.00 0.00 C ATOM 997 CD GLU A 76 2.734 0.289 -9.667 1.00 0.00 C ATOM 998 OE1 GLU A 76 3.827 0.827 -9.605 1.00 0.00 O ATOM 999 OE2 GLU A 76 2.065 0.079 -10.665 1.00 0.00 O ATOM 0 H GLU A 76 3.651 -0.151 -5.520 1.00 0.00 H new ATOM 0 HA GLU A 76 1.392 -1.938 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.011 -1.119 -7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.834 -2.229 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.093 -0.472 -8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.142 0.635 -7.614 1.00 0.00 H new ATOM 1006 N VAL A 77 2.540 -4.027 -5.742 1.00 0.00 N ATOM 1007 CA VAL A 77 3.205 -5.267 -5.239 1.00 0.00 C ATOM 1008 C VAL A 77 3.097 -6.276 -6.387 1.00 0.00 C ATOM 1009 O VAL A 77 2.006 -6.546 -6.841 1.00 0.00 O ATOM 1010 CB VAL A 77 2.444 -5.798 -3.998 1.00 0.00 C ATOM 1011 CG1 VAL A 77 3.410 -6.604 -3.125 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.895 -4.628 -3.164 1.00 0.00 C ATOM 0 H VAL A 77 1.554 -4.135 -5.980 1.00 0.00 H new ATOM 0 HA VAL A 77 4.240 -5.091 -4.946 1.00 0.00 H new ATOM 0 HB VAL A 77 1.616 -6.422 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.881 -6.981 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.806 -7.442 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.232 -5.963 -2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.363 -5.018 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.721 -3.999 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.211 -4.036 -3.773 1.00 0.00 H new ATOM 1022 N ARG A 78 4.195 -6.837 -6.818 1.00 0.00 N ATOM 1023 CA ARG A 78 4.109 -7.787 -7.972 1.00 0.00 C ATOM 1024 C ARG A 78 4.359 -9.222 -7.533 1.00 0.00 C ATOM 1025 O ARG A 78 5.170 -9.933 -8.093 1.00 0.00 O ATOM 1026 CB ARG A 78 5.149 -7.378 -9.012 1.00 0.00 C ATOM 1027 CG ARG A 78 4.515 -6.336 -9.928 1.00 0.00 C ATOM 1028 CD ARG A 78 4.129 -5.111 -9.099 1.00 0.00 C ATOM 1029 NE ARG A 78 4.066 -3.936 -10.016 1.00 0.00 N ATOM 1030 CZ ARG A 78 4.945 -2.979 -9.900 1.00 0.00 C ATOM 1031 NH1 ARG A 78 6.125 -3.255 -9.413 1.00 0.00 N ATOM 1032 NH2 ARG A 78 4.618 -1.775 -10.281 1.00 0.00 N ATOM 0 H ARG A 78 5.128 -6.686 -6.434 1.00 0.00 H new ATOM 0 HA ARG A 78 3.104 -7.742 -8.393 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.034 -6.969 -8.525 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.473 -8.245 -9.588 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.213 -6.053 -10.715 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.634 -6.752 -10.418 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.166 -5.268 -8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.860 -4.939 -8.309 1.00 0.00 H new ATOM 0 HE ARG A 78 3.340 -3.881 -10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.349 -4.209 -9.129 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.822 -2.517 -9.317 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.689 -1.595 -10.662 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.291 -1.013 -10.198 1.00 0.00 H new ATOM 1046 N ASP A 79 3.636 -9.605 -6.523 1.00 0.00 N ATOM 1047 CA ASP A 79 3.794 -10.980 -5.986 1.00 0.00 C ATOM 1048 C ASP A 79 2.583 -11.345 -5.134 1.00 0.00 C ATOM 1049 O ASP A 79 2.165 -12.485 -5.089 1.00 0.00 O ATOM 1050 CB ASP A 79 5.067 -11.031 -5.132 1.00 0.00 C ATOM 1051 CG ASP A 79 5.426 -12.491 -4.816 1.00 0.00 C ATOM 1052 OD1 ASP A 79 4.736 -13.354 -5.334 1.00 0.00 O ATOM 1053 OD2 ASP A 79 6.379 -12.667 -4.076 1.00 0.00 O ATOM 0 H ASP A 79 2.944 -9.027 -6.047 1.00 0.00 H new ATOM 0 HA ASP A 79 3.871 -11.692 -6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.890 -10.551 -5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.917 -10.476 -4.206 1.00 0.00 H new ATOM 1058 N SER A 80 2.043 -10.340 -4.497 1.00 0.00 N ATOM 1059 CA SER A 80 0.881 -10.558 -3.591 1.00 0.00 C ATOM 1060 C SER A 80 1.071 -11.859 -2.807 1.00 0.00 C ATOM 1061 O SER A 80 0.342 -12.816 -2.977 1.00 0.00 O ATOM 1062 CB SER A 80 -0.397 -10.633 -4.417 1.00 0.00 C ATOM 1063 OG SER A 80 -0.077 -11.603 -5.397 1.00 0.00 O ATOM 0 H SER A 80 2.360 -9.373 -4.567 1.00 0.00 H new ATOM 0 HA SER A 80 0.809 -9.728 -2.888 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.253 -10.935 -3.813 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.647 -9.671 -4.865 1.00 0.00 H new ATOM 0 HG SER A 80 -0.503 -12.455 -5.165 1.00 0.00 H new ATOM 1069 N ILE A 81 2.069 -11.847 -1.967 1.00 0.00 N ATOM 1070 CA ILE A 81 2.376 -13.040 -1.128 1.00 0.00 C ATOM 1071 C ILE A 81 1.793 -12.753 0.256 1.00 0.00 C ATOM 1072 O ILE A 81 1.014 -11.832 0.392 1.00 0.00 O ATOM 1073 CB ILE A 81 3.909 -13.206 -1.056 1.00 0.00 C ATOM 1074 CG1 ILE A 81 4.591 -11.909 -1.513 1.00 0.00 C ATOM 1075 CG2 ILE A 81 4.323 -14.339 -2.003 1.00 0.00 C ATOM 1076 CD1 ILE A 81 6.065 -11.957 -1.102 1.00 0.00 C ATOM 0 H ILE A 81 2.692 -11.052 -1.825 1.00 0.00 H new ATOM 0 HA ILE A 81 1.953 -13.959 -1.534 1.00 0.00 H new ATOM 0 HB ILE A 81 4.206 -13.433 -0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.504 -11.797 -2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.101 -11.046 -1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.404 -14.469 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.835 -15.265 -1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.024 -14.090 -3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.562 -11.041 -1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.138 -12.051 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.546 -12.814 -1.574 1.00 0.00 H new ATOM 1088 N PRO A 82 2.196 -13.494 1.255 1.00 0.00 N ATOM 1089 CA PRO A 82 2.236 -12.974 2.640 1.00 0.00 C ATOM 1090 C PRO A 82 2.460 -11.456 2.654 1.00 0.00 C ATOM 1091 O PRO A 82 2.039 -10.756 3.555 1.00 0.00 O ATOM 1092 CB PRO A 82 3.379 -13.762 3.286 1.00 0.00 C ATOM 1093 CG PRO A 82 3.582 -15.043 2.406 1.00 0.00 C ATOM 1094 CD PRO A 82 2.724 -14.871 1.129 1.00 0.00 C ATOM 0 HA PRO A 82 1.302 -13.107 3.185 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.291 -13.166 3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.134 -14.031 4.313 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.634 -15.168 2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.280 -15.936 2.953 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.320 -14.992 0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.921 -15.607 1.082 1.00 0.00 H new ATOM 1102 N ALA A 83 3.127 -10.969 1.644 1.00 0.00 N ATOM 1103 CA ALA A 83 3.361 -9.502 1.584 1.00 0.00 C ATOM 1104 C ALA A 83 2.043 -8.751 1.794 1.00 0.00 C ATOM 1105 O ALA A 83 1.979 -7.834 2.583 1.00 0.00 O ATOM 1106 CB ALA A 83 3.937 -9.135 0.218 1.00 0.00 C ATOM 0 H ALA A 83 3.513 -11.513 0.872 1.00 0.00 H new ATOM 0 HA ALA A 83 4.063 -9.222 2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.109 -8.060 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.880 -9.660 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.233 -9.423 -0.563 1.00 0.00 H new ATOM 1112 N ASP A 84 1.004 -9.159 1.113 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.281 -8.429 1.286 1.00 0.00 C ATOM 1114 C ASP A 84 -1.228 -9.120 2.275 1.00 0.00 C ATOM 1115 O ASP A 84 -2.387 -9.337 1.985 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.954 -8.273 -0.081 1.00 0.00 C ATOM 1117 CG ASP A 84 -1.325 -9.639 -0.653 1.00 0.00 C ATOM 1118 OD1 ASP A 84 -0.403 -10.302 -1.092 1.00 0.00 O ATOM 1119 OD2 ASP A 84 -2.508 -9.935 -0.625 1.00 0.00 O ATOM 0 H ASP A 84 0.989 -9.944 0.462 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.056 -7.451 1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.848 -7.657 0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.283 -7.755 -0.766 1.00 0.00 H new ATOM 1124 N SER A 85 -0.686 -9.555 3.380 1.00 0.00 N ATOM 1125 CA SER A 85 -1.544 -10.185 4.425 1.00 0.00 C ATOM 1126 C SER A 85 -1.883 -9.168 5.530 1.00 0.00 C ATOM 1127 O SER A 85 -1.455 -9.328 6.657 1.00 0.00 O ATOM 1128 CB SER A 85 -0.781 -11.371 5.022 1.00 0.00 C ATOM 1129 OG SER A 85 -1.716 -11.957 5.916 1.00 0.00 O ATOM 0 H SER A 85 0.308 -9.502 3.604 1.00 0.00 H new ATOM 0 HA SER A 85 -2.479 -10.523 3.979 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.469 -12.075 4.251 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.121 -11.047 5.541 1.00 0.00 H new ATOM 0 HG SER A 85 -1.310 -12.736 6.350 1.00 0.00 H new ATOM 1135 N GLY A 86 -2.633 -8.144 5.211 1.00 0.00 N ATOM 1136 CA GLY A 86 -2.970 -7.142 6.270 1.00 0.00 C ATOM 1137 C GLY A 86 -3.691 -5.918 5.689 1.00 0.00 C ATOM 1138 O GLY A 86 -4.017 -5.870 4.519 1.00 0.00 O ATOM 0 H GLY A 86 -3.020 -7.959 4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.601 -7.610 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.056 -6.822 6.771 1.00 0.00 H new ATOM 1142 N LEU A 87 -3.930 -4.931 6.510 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.632 -3.736 5.970 1.00 0.00 C ATOM 1144 C LEU A 87 -3.601 -2.726 5.470 1.00 0.00 C ATOM 1145 O LEU A 87 -2.693 -2.354 6.186 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.472 -3.106 7.088 1.00 0.00 C ATOM 1147 CG LEU A 87 -6.810 -2.628 6.504 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.694 -2.124 7.648 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -6.555 -1.468 5.536 1.00 0.00 C ATOM 0 H LEU A 87 -3.679 -4.899 7.498 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.280 -4.026 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.646 -3.832 7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.936 -2.268 7.534 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.298 -3.449 5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.648 -1.781 7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.868 -2.933 8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.196 -1.298 8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.503 -1.126 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.076 -0.647 6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.904 -1.804 4.729 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.750 -2.328 4.237 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.807 -1.326 3.676 1.00 0.00 C ATOM 1163 C TYR A 88 -3.509 0.019 3.706 1.00 0.00 C ATOM 1164 O TYR A 88 -4.186 0.410 2.778 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.461 -1.685 2.235 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.261 -2.623 2.259 1.00 0.00 C ATOM 1167 CD1 TYR A 88 0.016 -2.105 2.254 1.00 0.00 C ATOM 1168 CD2 TYR A 88 -1.438 -3.988 2.319 1.00 0.00 C ATOM 1169 CE1 TYR A 88 1.106 -2.942 2.314 1.00 0.00 C ATOM 1170 CE2 TYR A 88 -0.349 -4.832 2.375 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.936 -4.311 2.375 1.00 0.00 C ATOM 1172 OH TYR A 88 2.058 -5.111 2.455 1.00 0.00 O ATOM 0 H TYR A 88 -4.478 -2.651 3.600 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.885 -1.301 4.256 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.310 -2.164 1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.231 -0.786 1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.162 -1.036 2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.436 -4.400 2.322 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.102 -2.525 2.313 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.497 -5.901 2.419 1.00 0.00 H new ATOM 0 HH TYR A 88 1.786 -6.051 2.509 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.336 0.701 4.797 1.00 0.00 N ATOM 1183 CA ALA A 89 -3.996 2.026 4.907 1.00 0.00 C ATOM 1184 C ALA A 89 -2.960 3.039 4.446 1.00 0.00 C ATOM 1185 O ALA A 89 -1.831 3.024 4.886 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.376 2.282 6.364 1.00 0.00 C ATOM 0 H ALA A 89 -2.780 0.409 5.601 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.905 2.087 4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.861 3.255 6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.060 1.505 6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.478 2.270 6.982 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.360 3.926 3.589 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.373 4.905 3.081 1.00 0.00 C ATOM 1194 C CYS A 90 -2.602 6.232 3.760 1.00 0.00 C ATOM 1195 O CYS A 90 -3.705 6.741 3.729 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.571 5.092 1.592 1.00 0.00 C ATOM 1197 SG CYS A 90 -1.456 6.263 0.784 1.00 0.00 S ATOM 0 H CYS A 90 -4.308 4.016 3.224 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.365 4.542 3.283 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -2.461 4.122 1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.596 5.420 1.420 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.542 6.742 4.320 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.638 8.048 5.015 1.00 0.00 C ATOM 1204 C VAL A 91 -0.841 9.073 4.219 1.00 0.00 C ATOM 1205 O VAL A 91 0.348 8.940 4.011 1.00 0.00 O ATOM 1206 CB VAL A 91 -1.059 7.940 6.421 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.200 9.296 7.120 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -1.851 6.899 7.212 1.00 0.00 C ATOM 0 H VAL A 91 -0.618 6.311 4.325 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.683 8.349 5.090 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.010 7.649 6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.789 9.231 8.127 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.658 10.055 6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.254 9.569 7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.441 6.818 8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.896 7.203 7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.782 5.933 6.713 1.00 0.00 H new ATOM 1218 N THR A 92 -1.559 10.063 3.787 1.00 0.00 N ATOM 1219 CA THR A 92 -0.959 11.167 2.995 1.00 0.00 C ATOM 1220 C THR A 92 -0.743 12.308 3.982 1.00 0.00 C ATOM 1221 O THR A 92 -1.650 12.648 4.714 1.00 0.00 O ATOM 1222 CB THR A 92 -1.960 11.592 1.914 1.00 0.00 C ATOM 1223 OG1 THR A 92 -3.017 12.196 2.643 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.627 10.371 1.269 1.00 0.00 C ATOM 0 H THR A 92 -2.561 10.157 3.953 1.00 0.00 H new ATOM 0 HA THR A 92 -0.026 10.879 2.510 1.00 0.00 H new ATOM 0 HB THR A 92 -1.463 12.203 1.161 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.817 12.158 3.602 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.332 10.702 0.506 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.865 9.740 0.810 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.158 9.802 2.031 1.00 0.00 H new ATOM 1232 N SER A 93 0.443 12.850 3.993 1.00 0.00 N ATOM 1233 CA SER A 93 0.729 13.948 4.953 1.00 0.00 C ATOM 1234 C SER A 93 1.297 15.185 4.263 1.00 0.00 C ATOM 1235 O SER A 93 2.104 15.089 3.357 1.00 0.00 O ATOM 1236 CB SER A 93 1.748 13.444 5.975 1.00 0.00 C ATOM 1237 OG SER A 93 1.104 12.334 6.588 1.00 0.00 O ATOM 0 H SER A 93 1.218 12.583 3.386 1.00 0.00 H new ATOM 0 HA SER A 93 -0.209 14.234 5.429 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.681 13.149 5.495 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.995 14.215 6.705 1.00 0.00 H new ATOM 0 HG SER A 93 1.697 11.945 7.265 1.00 0.00 H new ATOM 1243 N SER A 94 0.795 16.297 4.730 1.00 0.00 N ATOM 1244 CA SER A 94 1.214 17.638 4.234 1.00 0.00 C ATOM 1245 C SER A 94 1.647 18.439 5.464 1.00 0.00 C ATOM 1246 O SER A 94 1.340 18.061 6.576 1.00 0.00 O ATOM 1247 CB SER A 94 0.003 18.331 3.601 1.00 0.00 C ATOM 1248 OG SER A 94 -0.656 18.931 4.707 1.00 0.00 O ATOM 0 H SER A 94 0.085 16.330 5.462 1.00 0.00 H new ATOM 0 HA SER A 94 2.015 17.561 3.499 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.307 19.074 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.643 17.619 3.088 1.00 0.00 H new ATOM 0 HG SER A 94 -1.454 19.406 4.394 1.00 0.00 H new ATOM 1254 N PRO A 95 2.265 19.565 5.233 1.00 0.00 N ATOM 1255 CA PRO A 95 3.069 20.251 6.269 1.00 0.00 C ATOM 1256 C PRO A 95 2.260 20.516 7.545 1.00 0.00 C ATOM 1257 O PRO A 95 2.818 20.900 8.555 1.00 0.00 O ATOM 1258 CB PRO A 95 3.514 21.567 5.615 1.00 0.00 C ATOM 1259 CG PRO A 95 3.155 21.468 4.103 1.00 0.00 C ATOM 1260 CD PRO A 95 2.191 20.279 3.937 1.00 0.00 C ATOM 0 HA PRO A 95 3.913 19.639 6.587 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.010 22.416 6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.585 21.721 5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.689 22.391 3.758 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.053 21.321 3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.176 20.616 3.726 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.492 19.635 3.110 1.00 0.00 H new ATOM 1268 N SER A 96 0.970 20.311 7.487 1.00 0.00 N ATOM 1269 CA SER A 96 0.150 20.561 8.710 1.00 0.00 C ATOM 1270 C SER A 96 -1.197 19.830 8.642 1.00 0.00 C ATOM 1271 O SER A 96 -2.172 20.268 9.222 1.00 0.00 O ATOM 1272 CB SER A 96 -0.091 22.070 8.826 1.00 0.00 C ATOM 1273 OG SER A 96 -0.709 22.224 10.096 1.00 0.00 O ATOM 0 H SER A 96 0.458 19.989 6.666 1.00 0.00 H new ATOM 0 HA SER A 96 0.687 20.184 9.580 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.843 22.629 8.766 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.732 22.434 8.023 1.00 0.00 H new ATOM 0 HG SER A 96 -1.511 21.662 10.140 1.00 0.00 H new ATOM 1279 N GLY A 97 -1.227 18.730 7.939 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.509 17.974 7.829 1.00 0.00 C ATOM 1281 C GLY A 97 -2.265 16.525 7.404 1.00 0.00 C ATOM 1282 O GLY A 97 -1.315 16.241 6.702 1.00 0.00 O ATOM 0 H GLY A 97 -0.433 18.326 7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -3.027 17.992 8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.161 18.463 7.105 1.00 0.00 H new ATOM 1286 N SER A 98 -3.143 15.652 7.823 1.00 0.00 N ATOM 1287 CA SER A 98 -2.995 14.213 7.455 1.00 0.00 C ATOM 1288 C SER A 98 -4.335 13.639 6.976 1.00 0.00 C ATOM 1289 O SER A 98 -5.372 13.907 7.550 1.00 0.00 O ATOM 1290 CB SER A 98 -2.515 13.440 8.687 1.00 0.00 C ATOM 1291 OG SER A 98 -3.534 13.669 9.649 1.00 0.00 O ATOM 0 H SER A 98 -3.953 15.872 8.402 1.00 0.00 H new ATOM 0 HA SER A 98 -2.272 14.119 6.645 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.399 12.378 8.472 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.548 13.803 9.035 1.00 0.00 H new ATOM 0 HG SER A 98 -4.373 13.884 9.191 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.274 12.861 5.929 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.516 12.246 5.374 1.00 0.00 C ATOM 1299 C ASP A 99 -5.263 10.754 5.168 1.00 0.00 C ATOM 1300 O ASP A 99 -4.210 10.377 4.695 1.00 0.00 O ATOM 1301 CB ASP A 99 -5.826 12.902 4.023 1.00 0.00 C ATOM 1302 CG ASP A 99 -7.343 13.001 3.844 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -7.893 13.921 4.427 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -7.866 12.153 3.138 1.00 0.00 O ATOM 0 H ASP A 99 -3.415 12.624 5.432 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.356 12.391 6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.377 13.894 3.976 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.390 12.317 3.213 1.00 0.00 H new ATOM 1309 N THR A 100 -6.216 9.930 5.508 1.00 0.00 N ATOM 1310 CA THR A 100 -5.973 8.471 5.325 1.00 0.00 C ATOM 1311 C THR A 100 -7.080 7.766 4.539 1.00 0.00 C ATOM 1312 O THR A 100 -8.255 8.043 4.677 1.00 0.00 O ATOM 1313 CB THR A 100 -5.830 7.827 6.701 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.747 8.524 7.301 1.00 0.00 O ATOM 1315 CG2 THR A 100 -5.323 6.386 6.568 1.00 0.00 C ATOM 0 H THR A 100 -7.124 10.191 5.892 1.00 0.00 H new ATOM 0 HA THR A 100 -5.061 8.361 4.738 1.00 0.00 H new ATOM 0 HB THR A 100 -6.778 7.853 7.238 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.587 8.169 8.200 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.227 5.941 7.558 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.030 5.805 5.976 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.351 6.386 6.074 1.00 0.00 H new ATOM 1323 N THR A 101 -6.620 6.860 3.724 1.00 0.00 N ATOM 1324 CA THR A 101 -7.513 6.036 2.856 1.00 0.00 C ATOM 1325 C THR A 101 -7.179 4.560 3.131 1.00 0.00 C ATOM 1326 O THR A 101 -6.023 4.256 3.320 1.00 0.00 O ATOM 1327 CB THR A 101 -7.191 6.407 1.405 1.00 0.00 C ATOM 1328 OG1 THR A 101 -6.140 7.362 1.495 1.00 0.00 O ATOM 1329 CG2 THR A 101 -8.338 7.217 0.795 1.00 0.00 C ATOM 0 H THR A 101 -5.628 6.648 3.619 1.00 0.00 H new ATOM 0 HA THR A 101 -8.572 6.207 3.049 1.00 0.00 H new ATOM 0 HB THR A 101 -6.983 5.505 0.829 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.771 7.527 0.602 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.094 7.473 -0.236 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.253 6.625 0.815 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.485 8.131 1.371 1.00 0.00 H new ATOM 1337 N TYR A 102 -8.122 3.650 3.103 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.720 2.244 3.442 1.00 0.00 C ATOM 1339 C TYR A 102 -7.879 1.182 2.352 1.00 0.00 C ATOM 1340 O TYR A 102 -8.960 0.876 1.896 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.527 1.766 4.644 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.640 2.890 5.665 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -9.417 3.995 5.403 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -7.975 2.799 6.865 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -9.536 5.004 6.333 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -8.087 3.809 7.800 1.00 0.00 C ATOM 1347 CZ TYR A 102 -8.870 4.918 7.540 1.00 0.00 C ATOM 1348 OH TYR A 102 -8.981 5.929 8.474 1.00 0.00 O ATOM 0 H TYR A 102 -9.104 3.803 2.873 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.648 2.328 3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.520 1.450 4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.046 0.898 5.096 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.938 4.072 4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.363 1.935 7.077 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.152 5.865 6.118 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.560 3.732 8.740 1.00 0.00 H new ATOM 0 HH TYR A 102 -8.448 5.704 9.265 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.766 0.606 2.001 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.738 -0.478 0.990 1.00 0.00 C ATOM 1360 C PHE A 103 -6.504 -1.781 1.741 1.00 0.00 C ATOM 1361 O PHE A 103 -5.389 -2.066 2.124 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.537 -0.307 0.068 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.530 1.089 -0.524 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.241 2.180 0.268 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -5.818 1.259 -1.858 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.245 3.445 -0.272 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -5.821 2.526 -2.404 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.539 3.617 -1.606 1.00 0.00 C ATOM 0 H PHE A 103 -5.853 0.850 2.384 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.665 -0.465 0.417 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.615 -0.480 0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.573 -1.049 -0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.011 2.041 1.314 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.041 0.403 -2.477 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.018 4.300 0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.043 2.664 -3.452 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.549 4.610 -2.030 1.00 0.00 H new ATOM 1378 N SER A 104 -7.516 -2.563 1.973 1.00 0.00 N ATOM 1379 CA SER A 104 -7.199 -3.829 2.687 1.00 0.00 C ATOM 1380 C SER A 104 -6.613 -4.779 1.644 1.00 0.00 C ATOM 1381 O SER A 104 -7.185 -4.971 0.592 1.00 0.00 O ATOM 1382 CB SER A 104 -8.483 -4.419 3.270 1.00 0.00 C ATOM 1383 OG SER A 104 -8.940 -3.415 4.163 1.00 0.00 O ATOM 0 H SER A 104 -8.490 -2.400 1.719 1.00 0.00 H new ATOM 0 HA SER A 104 -6.498 -3.665 3.505 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.217 -4.627 2.492 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.293 -5.359 3.788 1.00 0.00 H new ATOM 0 HG SER A 104 -9.840 -3.129 3.901 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.459 -5.325 1.917 1.00 0.00 N ATOM 1390 CA VAL A 105 -4.873 -6.256 0.914 1.00 0.00 C ATOM 1391 C VAL A 105 -4.601 -7.578 1.614 1.00 0.00 C ATOM 1392 O VAL A 105 -3.882 -7.646 2.591 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.581 -5.664 0.333 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -3.389 -6.282 -1.044 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -3.767 -4.156 0.157 1.00 0.00 C ATOM 0 H VAL A 105 -4.911 -5.173 2.764 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.562 -6.411 0.084 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.730 -5.861 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.479 -5.888 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -3.308 -7.365 -0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.243 -6.036 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.856 -3.723 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.598 -3.969 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.980 -3.700 1.124 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.234 -8.599 1.111 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.062 -9.936 1.743 1.00 0.00 C ATOM 1407 C ASN A 106 -4.695 -11.054 0.773 1.00 0.00 C ATOM 1408 O ASN A 106 -5.316 -11.235 -0.255 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.372 -10.318 2.423 1.00 0.00 C ATOM 1410 CG ASN A 106 -7.485 -10.407 1.377 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -7.838 -11.572 0.904 1.00 0.00 O flip ATOM 1412 ND2 ASN A 106 -8.047 -9.407 0.975 1.00 0.00 N flip ATOM 0 H ASN A 106 -5.854 -8.569 0.302 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.230 -9.839 2.440 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.263 -11.274 2.935 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.629 -9.578 3.181 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.780 -8.492 1.337 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.786 -9.483 0.276 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.643 -11.750 1.100 1.00 0.00 N ATOM 1420 CA VAL A 107 -3.262 -12.909 0.247 1.00 0.00 C ATOM 1421 C VAL A 107 -3.794 -14.171 0.926 1.00 0.00 C ATOM 1422 O VAL A 107 -3.600 -14.373 2.110 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.743 -13.004 0.134 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -1.163 -13.529 1.453 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -1.428 -14.002 -0.984 1.00 0.00 C ATOM 0 H VAL A 107 -3.041 -11.572 1.904 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.677 -12.793 -0.754 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.311 -12.026 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.078 -13.597 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.425 -12.847 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.573 -14.517 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.348 -14.096 -1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.853 -14.974 -0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.859 -13.647 -1.920 1.00 0.00 H new ATOM 1435 N SER A 108 -4.486 -14.978 0.173 1.00 0.00 N ATOM 1436 CA SER A 108 -5.031 -16.228 0.776 1.00 0.00 C ATOM 1437 C SER A 108 -4.729 -17.447 -0.098 1.00 0.00 C ATOM 1438 O SER A 108 -3.942 -17.376 -1.022 1.00 0.00 O ATOM 1439 CB SER A 108 -6.540 -16.056 0.942 1.00 0.00 C ATOM 1440 OG SER A 108 -6.668 -14.802 1.600 1.00 0.00 O ATOM 0 H SER A 108 -4.696 -14.833 -0.815 1.00 0.00 H new ATOM 0 HA SER A 108 -4.557 -16.400 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.051 -16.057 -0.021 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.972 -16.864 1.533 1.00 0.00 H new ATOM 0 HG SER A 108 -7.617 -14.606 1.748 1.00 0.00 H new