USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=22 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 31 SER OG : rot -44:sc= 1.11 USER MOD Set 1.2: A 104 SER OG : rot 121:sc= 0.217 USER MOD Single : A 35 HIS : no HD1:sc= -2.12! C(o=-2.1!,f=-6.6!) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.16! C(o=-6.9!,f=-3.2!) USER MOD Single : A 51 GLN :FLIP amide:sc= -1.6! C(o=-3.8!,f=-1.6!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -10.5! C(o=-11!,f=-10!) USER MOD Single : A 61 GLN :FLIP amide:sc= -2.69! C(o=-6.1!,f=-2.7!) USER MOD Single : A 68 THR OG1 : rot 59:sc= 1.1 USER MOD Single : A 71 THR OG1 : rot -71:sc= 1.8 USER MOD Single : A 80 SER OG : rot 45:sc= -1.77! USER MOD Single : A 85 SER OG : rot 72:sc= 1.1 USER MOD Single : A 88 TYR OH : rot 160:sc= 0.724 USER MOD Single : A 92 THR OG1 : rot 19:sc= 0.974! USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.0393 USER MOD Single : A 96 SER OG : rot -60:sc= 0.981 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.824 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN :FLIP amide:sc= -5.22 F(o=-6.4!,f=-5.2) USER MOD Single : A 108 SER OG : rot 45:sc= 0.779 USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 28 -12.923 2.332 4.765 1.00 0.00 N ATOM 213 CA GLU A 28 -11.508 2.113 4.398 1.00 0.00 C ATOM 214 C GLU A 28 -11.269 2.747 3.028 1.00 0.00 C ATOM 215 O GLU A 28 -11.185 3.950 2.890 1.00 0.00 O ATOM 216 CB GLU A 28 -11.266 0.588 4.384 1.00 0.00 C ATOM 217 CG GLU A 28 -12.457 -0.126 3.727 1.00 0.00 C ATOM 218 CD GLU A 28 -12.452 -1.590 4.178 1.00 0.00 C ATOM 219 OE1 GLU A 28 -11.580 -2.299 3.706 1.00 0.00 O ATOM 220 OE2 GLU A 28 -13.317 -1.913 4.975 1.00 0.00 O ATOM 0 HA GLU A 28 -10.815 2.570 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.350 0.362 3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.129 0.224 5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.392 0.356 4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.385 -0.063 2.641 1.00 0.00 H new ATOM 227 N VAL A 29 -11.104 1.881 2.072 1.00 0.00 N ATOM 228 CA VAL A 29 -10.915 2.311 0.653 1.00 0.00 C ATOM 229 C VAL A 29 -11.176 1.169 -0.303 1.00 0.00 C ATOM 230 O VAL A 29 -12.205 1.087 -0.945 1.00 0.00 O ATOM 231 CB VAL A 29 -9.509 2.843 0.351 1.00 0.00 C ATOM 232 CG1 VAL A 29 -9.320 2.832 -1.171 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.417 4.307 0.763 1.00 0.00 C ATOM 0 H VAL A 29 -11.091 0.871 2.213 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.633 3.119 0.513 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.774 2.235 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.326 3.206 -1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.427 1.813 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.073 3.469 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.417 4.683 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.151 4.889 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.617 4.398 1.831 1.00 0.00 H new ATOM 243 N GLU A 30 -10.200 0.307 -0.358 1.00 0.00 N ATOM 244 CA GLU A 30 -10.314 -0.840 -1.295 1.00 0.00 C ATOM 245 C GLU A 30 -9.881 -2.163 -0.682 1.00 0.00 C ATOM 246 O GLU A 30 -8.802 -2.307 -0.140 1.00 0.00 O ATOM 247 CB GLU A 30 -9.444 -0.547 -2.522 1.00 0.00 C ATOM 248 CG GLU A 30 -9.516 -1.736 -3.491 1.00 0.00 C ATOM 249 CD GLU A 30 -10.977 -1.991 -3.873 1.00 0.00 C ATOM 250 OE1 GLU A 30 -11.547 -1.087 -4.462 1.00 0.00 O ATOM 251 OE2 GLU A 30 -11.437 -3.075 -3.552 1.00 0.00 O ATOM 0 H GLU A 30 -9.344 0.346 0.195 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.366 -0.946 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.787 0.361 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.412 -0.373 -2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.926 -1.529 -4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.089 -2.625 -3.026 1.00 0.00 H new ATOM 258 N SER A 31 -10.788 -3.090 -0.772 1.00 0.00 N ATOM 259 CA SER A 31 -10.510 -4.465 -0.269 1.00 0.00 C ATOM 260 C SER A 31 -10.191 -5.374 -1.459 1.00 0.00 C ATOM 261 O SER A 31 -11.062 -5.736 -2.226 1.00 0.00 O ATOM 262 CB SER A 31 -11.735 -5.000 0.465 1.00 0.00 C ATOM 263 OG SER A 31 -12.015 -3.987 1.416 1.00 0.00 O ATOM 0 H SER A 31 -11.716 -2.956 -1.174 1.00 0.00 H new ATOM 0 HA SER A 31 -9.663 -4.441 0.417 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.573 -5.157 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.530 -5.957 0.945 1.00 0.00 H new ATOM 0 HG SER A 31 -11.180 -3.692 1.835 1.00 0.00 H new ATOM 269 N LEU A 32 -8.937 -5.718 -1.580 1.00 0.00 N ATOM 270 CA LEU A 32 -8.516 -6.592 -2.718 1.00 0.00 C ATOM 271 C LEU A 32 -7.949 -7.948 -2.269 1.00 0.00 C ATOM 272 O LEU A 32 -7.097 -8.038 -1.407 1.00 0.00 O ATOM 273 CB LEU A 32 -7.450 -5.849 -3.532 1.00 0.00 C ATOM 274 CG LEU A 32 -7.362 -6.485 -4.928 1.00 0.00 C ATOM 275 CD1 LEU A 32 -8.611 -6.108 -5.733 1.00 0.00 C ATOM 276 CD2 LEU A 32 -6.128 -5.937 -5.651 1.00 0.00 C ATOM 0 H LEU A 32 -8.189 -5.435 -0.946 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.405 -6.804 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.706 -4.793 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.484 -5.905 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.291 -7.569 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.554 -6.557 -6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.499 -6.475 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.669 -5.024 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.059 -6.384 -6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.213 -4.854 -5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.233 -6.182 -5.079 1.00 0.00 H new ATOM 288 N LEU A 33 -8.446 -8.980 -2.896 1.00 0.00 N ATOM 289 CA LEU A 33 -7.988 -10.362 -2.580 1.00 0.00 C ATOM 290 C LEU A 33 -7.028 -10.866 -3.665 1.00 0.00 C ATOM 291 O LEU A 33 -7.307 -10.762 -4.844 1.00 0.00 O ATOM 292 CB LEU A 33 -9.216 -11.280 -2.523 1.00 0.00 C ATOM 293 CG LEU A 33 -10.063 -11.095 -3.795 1.00 0.00 C ATOM 294 CD1 LEU A 33 -10.710 -12.434 -4.158 1.00 0.00 C ATOM 295 CD2 LEU A 33 -11.180 -10.085 -3.515 1.00 0.00 C ATOM 0 H LEU A 33 -9.159 -8.922 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.465 -10.363 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.901 -12.320 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.813 -11.050 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.429 -10.742 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.313 -12.315 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.933 -13.177 -4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.346 -12.765 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.783 -9.951 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.811 -10.455 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.742 -9.130 -3.225 1.00 0.00 H new ATOM 307 N VAL A 34 -5.910 -11.393 -3.243 1.00 0.00 N ATOM 308 CA VAL A 34 -4.921 -11.903 -4.235 1.00 0.00 C ATOM 309 C VAL A 34 -4.322 -13.251 -3.813 1.00 0.00 C ATOM 310 O VAL A 34 -4.387 -13.646 -2.666 1.00 0.00 O ATOM 311 CB VAL A 34 -3.789 -10.871 -4.366 1.00 0.00 C ATOM 312 CG1 VAL A 34 -3.816 -10.284 -5.779 1.00 0.00 C ATOM 313 CG2 VAL A 34 -4.005 -9.733 -3.361 1.00 0.00 C ATOM 0 H VAL A 34 -5.641 -11.492 -2.264 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.435 -12.053 -5.184 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.833 -11.357 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.017 -9.550 -5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.673 -11.082 -6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.777 -9.801 -5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.200 -9.004 -3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.960 -9.247 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.008 -10.137 -2.349 1.00 0.00 H new ATOM 323 N HIS A 35 -3.749 -13.940 -4.765 1.00 0.00 N ATOM 324 CA HIS A 35 -3.119 -15.256 -4.456 1.00 0.00 C ATOM 325 C HIS A 35 -1.709 -15.291 -5.059 1.00 0.00 C ATOM 326 O HIS A 35 -1.369 -14.475 -5.893 1.00 0.00 O ATOM 327 CB HIS A 35 -3.976 -16.368 -5.076 1.00 0.00 C ATOM 328 CG HIS A 35 -5.360 -15.808 -5.412 1.00 0.00 C ATOM 329 ND1 HIS A 35 -5.578 -14.819 -6.215 1.00 0.00 N ATOM 330 CD2 HIS A 35 -6.620 -16.182 -4.979 1.00 0.00 C ATOM 331 CE1 HIS A 35 -6.851 -14.589 -6.287 1.00 0.00 C ATOM 332 NE2 HIS A 35 -7.537 -15.414 -5.534 1.00 0.00 N ATOM 0 H HIS A 35 -3.690 -13.649 -5.741 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.053 -15.401 -3.378 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.498 -16.753 -5.977 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.067 -17.203 -4.382 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.823 -16.986 -4.287 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.293 -13.812 -6.893 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.548 -15.453 -5.407 1.00 0.00 H new ATOM 340 N PRO A 36 -0.927 -16.243 -4.621 1.00 0.00 N ATOM 341 CA PRO A 36 0.516 -16.301 -4.953 1.00 0.00 C ATOM 342 C PRO A 36 0.752 -16.212 -6.465 1.00 0.00 C ATOM 343 O PRO A 36 0.428 -17.122 -7.202 1.00 0.00 O ATOM 344 CB PRO A 36 0.997 -17.645 -4.393 1.00 0.00 C ATOM 345 CG PRO A 36 -0.147 -18.202 -3.494 1.00 0.00 C ATOM 346 CD PRO A 36 -1.407 -17.358 -3.770 1.00 0.00 C ATOM 0 HA PRO A 36 1.062 -15.460 -4.525 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.225 -18.340 -5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.913 -17.516 -3.816 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.333 -19.253 -3.717 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.130 -18.144 -2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.174 -17.943 -4.278 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.849 -16.989 -2.844 1.00 0.00 H new ATOM 354 N GLY A 37 1.309 -15.109 -6.891 1.00 0.00 N ATOM 355 CA GLY A 37 1.580 -14.918 -8.343 1.00 0.00 C ATOM 356 C GLY A 37 0.703 -13.795 -8.904 1.00 0.00 C ATOM 357 O GLY A 37 0.269 -13.864 -10.036 1.00 0.00 O ATOM 0 H GLY A 37 1.588 -14.331 -6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.632 -14.677 -8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.384 -15.845 -8.882 1.00 0.00 H new ATOM 361 N ASP A 38 0.461 -12.784 -8.109 1.00 0.00 N ATOM 362 CA ASP A 38 -0.399 -11.669 -8.610 1.00 0.00 C ATOM 363 C ASP A 38 0.169 -10.263 -8.376 1.00 0.00 C ATOM 364 O ASP A 38 1.090 -10.048 -7.609 1.00 0.00 O ATOM 365 CB ASP A 38 -1.759 -11.741 -7.910 1.00 0.00 C ATOM 366 CG ASP A 38 -2.575 -12.930 -8.423 1.00 0.00 C ATOM 367 OD1 ASP A 38 -2.350 -13.316 -9.558 1.00 0.00 O ATOM 368 OD2 ASP A 38 -3.391 -13.376 -7.634 1.00 0.00 O ATOM 0 H ASP A 38 0.812 -12.682 -7.157 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.465 -11.810 -9.689 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.614 -11.832 -6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.310 -10.816 -8.081 1.00 0.00 H new ATOM 373 N LEU A 39 -0.451 -9.342 -9.065 1.00 0.00 N ATOM 374 CA LEU A 39 -0.073 -7.906 -8.967 1.00 0.00 C ATOM 375 C LEU A 39 -1.188 -7.171 -8.223 1.00 0.00 C ATOM 376 O LEU A 39 -2.309 -7.083 -8.683 1.00 0.00 O ATOM 377 CB LEU A 39 0.069 -7.326 -10.381 1.00 0.00 C ATOM 378 CG LEU A 39 1.490 -7.581 -10.903 1.00 0.00 C ATOM 379 CD1 LEU A 39 1.697 -9.084 -11.114 1.00 0.00 C ATOM 380 CD2 LEU A 39 1.655 -6.867 -12.248 1.00 0.00 C ATOM 0 H LEU A 39 -1.221 -9.532 -9.706 1.00 0.00 H new ATOM 0 HA LEU A 39 0.872 -7.793 -8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.662 -7.784 -11.048 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.138 -6.256 -10.368 1.00 0.00 H new ATOM 0 HG LEU A 39 2.218 -7.209 -10.182 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.706 -9.264 -11.485 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.560 -9.607 -10.167 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.973 -9.453 -11.840 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.661 -7.040 -12.631 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.925 -7.255 -12.958 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.497 -5.797 -12.114 1.00 0.00 H new ATOM 392 N LEU A 40 -0.828 -6.662 -7.079 1.00 0.00 N ATOM 393 CA LEU A 40 -1.811 -5.924 -6.232 1.00 0.00 C ATOM 394 C LEU A 40 -1.337 -4.476 -6.063 1.00 0.00 C ATOM 395 O LEU A 40 -0.170 -4.229 -5.838 1.00 0.00 O ATOM 396 CB LEU A 40 -1.888 -6.657 -4.878 1.00 0.00 C ATOM 397 CG LEU A 40 -2.002 -5.661 -3.716 1.00 0.00 C ATOM 398 CD1 LEU A 40 -3.372 -4.980 -3.757 1.00 0.00 C ATOM 399 CD2 LEU A 40 -1.896 -6.446 -2.406 1.00 0.00 C ATOM 0 H LEU A 40 0.113 -6.725 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.801 -5.897 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.748 -7.327 -4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.001 -7.276 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.215 -4.911 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.452 -4.273 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.486 -4.449 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.155 -5.733 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.974 -5.759 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.702 -7.178 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.936 -6.961 -2.367 1.00 0.00 H new ATOM 411 N GLN A 41 -2.241 -3.542 -6.189 1.00 0.00 N ATOM 412 CA GLN A 41 -1.818 -2.118 -6.047 1.00 0.00 C ATOM 413 C GLN A 41 -2.717 -1.302 -5.111 1.00 0.00 C ATOM 414 O GLN A 41 -3.898 -1.551 -4.978 1.00 0.00 O ATOM 415 CB GLN A 41 -1.828 -1.455 -7.432 1.00 0.00 C ATOM 416 CG GLN A 41 -1.205 -2.407 -8.465 1.00 0.00 C ATOM 417 CD GLN A 41 -2.230 -3.458 -8.913 1.00 0.00 C ATOM 418 OE1 GLN A 41 -3.448 -3.421 -8.442 1.00 0.00 O flip ATOM 419 NE2 GLN A 41 -1.928 -4.329 -9.705 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.231 -3.696 -6.380 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.821 -2.129 -5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.850 -1.208 -7.720 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.270 -0.519 -7.402 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.856 -1.839 -9.328 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.334 -2.900 -8.035 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.981 -4.370 -10.081 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.622 -5.019 -9.994 1.00 0.00 H new ATOM 428 N LEU A 42 -2.094 -0.337 -4.490 1.00 0.00 N ATOM 429 CA LEU A 42 -2.807 0.581 -3.557 1.00 0.00 C ATOM 430 C LEU A 42 -2.582 2.004 -4.069 1.00 0.00 C ATOM 431 O LEU A 42 -1.446 2.414 -4.185 1.00 0.00 O ATOM 432 CB LEU A 42 -2.185 0.502 -2.152 1.00 0.00 C ATOM 433 CG LEU A 42 -1.565 -0.869 -1.877 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.740 -0.768 -0.574 1.00 0.00 C ATOM 435 CD2 LEU A 42 -2.693 -1.879 -1.669 1.00 0.00 C ATOM 0 H LEU A 42 -1.098 -0.143 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.862 0.311 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.421 1.273 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.950 0.711 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.932 -1.181 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.286 -1.735 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.043 -0.019 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.394 -0.479 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.268 -2.863 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.305 -1.571 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.311 -1.924 -2.566 1.00 0.00 H new ATOM 447 N ARG A 43 -3.636 2.721 -4.354 1.00 0.00 N ATOM 448 CA ARG A 43 -3.456 4.119 -4.853 1.00 0.00 C ATOM 449 C ARG A 43 -3.812 5.124 -3.772 1.00 0.00 C ATOM 450 O ARG A 43 -4.946 5.235 -3.354 1.00 0.00 O ATOM 451 CB ARG A 43 -4.372 4.338 -6.065 1.00 0.00 C ATOM 452 CG ARG A 43 -3.617 4.013 -7.359 1.00 0.00 C ATOM 453 CD ARG A 43 -3.207 2.539 -7.352 1.00 0.00 C ATOM 454 NE ARG A 43 -3.112 2.081 -8.768 1.00 0.00 N ATOM 455 CZ ARG A 43 -1.976 1.623 -9.220 1.00 0.00 C ATOM 456 NH1 ARG A 43 -1.916 0.395 -9.657 1.00 0.00 N ATOM 457 NH2 ARG A 43 -0.934 2.405 -9.220 1.00 0.00 N ATOM 0 H ARG A 43 -4.602 2.407 -4.265 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.413 4.262 -5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.256 3.706 -5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.719 5.371 -6.087 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.247 4.222 -8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.735 4.647 -7.447 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.250 2.412 -6.845 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.938 1.942 -6.807 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.928 2.125 -9.378 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.749 -0.193 -9.642 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.036 0.023 -10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.013 3.360 -8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.039 2.062 -9.570 1.00 0.00 H new ATOM 471 N CYS A 44 -2.816 5.867 -3.379 1.00 0.00 N ATOM 472 CA CYS A 44 -3.025 6.882 -2.319 1.00 0.00 C ATOM 473 C CYS A 44 -3.508 8.184 -2.943 1.00 0.00 C ATOM 474 O CYS A 44 -3.740 8.273 -4.131 1.00 0.00 O ATOM 475 CB CYS A 44 -1.690 7.137 -1.632 1.00 0.00 C ATOM 476 SG CYS A 44 -1.703 7.441 0.150 1.00 0.00 S ATOM 0 H CYS A 44 -1.867 5.813 -3.748 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.767 6.524 -1.605 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.047 6.277 -1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.224 7.996 -2.115 1.00 0.00 H new ATOM 481 N ARG A 45 -3.599 9.169 -2.099 1.00 0.00 N ATOM 482 CA ARG A 45 -4.064 10.515 -2.542 1.00 0.00 C ATOM 483 C ARG A 45 -2.872 11.458 -2.658 1.00 0.00 C ATOM 484 O ARG A 45 -2.126 11.618 -1.712 1.00 0.00 O ATOM 485 CB ARG A 45 -5.040 11.058 -1.488 1.00 0.00 C ATOM 486 CG ARG A 45 -5.456 12.488 -1.862 1.00 0.00 C ATOM 487 CD ARG A 45 -4.591 13.499 -1.096 1.00 0.00 C ATOM 488 NE ARG A 45 -4.868 13.356 0.363 1.00 0.00 N ATOM 489 CZ ARG A 45 -5.912 13.949 0.873 1.00 0.00 C ATOM 490 NH1 ARG A 45 -6.970 13.237 1.146 1.00 0.00 N ATOM 491 NH2 ARG A 45 -5.863 15.234 1.093 1.00 0.00 N ATOM 0 H ARG A 45 -3.369 9.101 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.554 10.440 -3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.919 10.417 -1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.571 11.050 -0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.344 12.640 -2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.509 12.644 -1.626 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.535 13.323 -1.299 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.814 14.514 -1.425 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.249 12.802 0.954 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.972 12.234 0.960 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.796 13.683 1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.018 15.758 0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.670 15.714 1.491 1.00 0.00 H new ATOM 505 N LEU A 46 -2.688 12.056 -3.806 1.00 0.00 N ATOM 506 CA LEU A 46 -1.532 12.985 -3.913 1.00 0.00 C ATOM 507 C LEU A 46 -2.018 14.277 -4.551 1.00 0.00 C ATOM 508 O LEU A 46 -2.916 14.251 -5.364 1.00 0.00 O ATOM 509 CB LEU A 46 -0.425 12.339 -4.769 1.00 0.00 C ATOM 510 CG LEU A 46 -1.021 11.300 -5.734 1.00 0.00 C ATOM 511 CD1 LEU A 46 -0.043 11.102 -6.898 1.00 0.00 C ATOM 512 CD2 LEU A 46 -1.167 9.958 -5.005 1.00 0.00 C ATOM 0 H LEU A 46 -3.263 11.947 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.118 13.197 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.100 13.109 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.310 11.862 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.992 11.643 -6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.449 10.368 -7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.103 12.050 -7.416 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.913 10.747 -6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.589 9.218 -5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.188 9.621 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.828 10.080 -4.147 1.00 0.00 H new ATOM 524 N ARG A 47 -1.492 15.387 -4.115 1.00 0.00 N ATOM 525 CA ARG A 47 -1.927 16.672 -4.731 1.00 0.00 C ATOM 526 C ARG A 47 -0.893 17.761 -4.442 1.00 0.00 C ATOM 527 O ARG A 47 0.236 17.469 -4.101 1.00 0.00 O ATOM 528 CB ARG A 47 -3.303 17.055 -4.161 1.00 0.00 C ATOM 529 CG ARG A 47 -3.142 17.713 -2.796 1.00 0.00 C ATOM 530 CD ARG A 47 -4.538 18.011 -2.246 1.00 0.00 C ATOM 531 NE ARG A 47 -5.289 18.763 -3.292 1.00 0.00 N ATOM 532 CZ ARG A 47 -5.577 20.020 -3.093 1.00 0.00 C ATOM 533 NH1 ARG A 47 -6.200 20.361 -1.998 1.00 0.00 N ATOM 534 NH2 ARG A 47 -5.228 20.895 -3.996 1.00 0.00 N ATOM 0 H ARG A 47 -0.794 15.462 -3.375 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.009 16.562 -5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.811 17.736 -4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.929 16.167 -4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.598 17.055 -2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.562 18.632 -2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.056 17.085 -1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.470 18.596 -1.329 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.575 18.299 -4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.454 19.649 -1.313 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.433 21.339 -1.827 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.739 20.591 -4.838 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.444 21.883 -3.860 1.00 0.00 H new ATOM 548 N ASP A 48 -1.294 18.995 -4.588 1.00 0.00 N ATOM 549 CA ASP A 48 -0.337 20.101 -4.307 1.00 0.00 C ATOM 550 C ASP A 48 -0.322 20.383 -2.799 1.00 0.00 C ATOM 551 O ASP A 48 -0.172 21.509 -2.370 1.00 0.00 O ATOM 552 CB ASP A 48 -0.798 21.346 -5.070 1.00 0.00 C ATOM 553 CG ASP A 48 0.286 22.424 -4.979 1.00 0.00 C ATOM 554 OD1 ASP A 48 1.366 22.148 -5.475 1.00 0.00 O ATOM 555 OD2 ASP A 48 -0.029 23.461 -4.419 1.00 0.00 O ATOM 0 H ASP A 48 -2.227 19.281 -4.885 1.00 0.00 H new ATOM 0 HA ASP A 48 0.669 19.827 -4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.992 21.096 -6.113 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.733 21.718 -4.651 1.00 0.00 H new ATOM 560 N ASP A 49 -0.483 19.337 -2.033 1.00 0.00 N ATOM 561 CA ASP A 49 -0.485 19.488 -0.551 1.00 0.00 C ATOM 562 C ASP A 49 0.359 18.379 0.080 1.00 0.00 C ATOM 563 O ASP A 49 1.429 18.632 0.597 1.00 0.00 O ATOM 564 CB ASP A 49 -1.928 19.389 -0.041 1.00 0.00 C ATOM 565 CG ASP A 49 -2.707 20.630 -0.487 1.00 0.00 C ATOM 566 OD1 ASP A 49 -2.954 20.719 -1.679 1.00 0.00 O ATOM 567 OD2 ASP A 49 -3.011 21.419 0.393 1.00 0.00 O ATOM 0 H ASP A 49 -0.613 18.384 -2.371 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.064 20.456 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.403 18.488 -0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.937 19.310 1.046 1.00 0.00 H new ATOM 572 N VAL A 50 -0.140 17.172 0.019 1.00 0.00 N ATOM 573 CA VAL A 50 0.618 16.036 0.603 1.00 0.00 C ATOM 574 C VAL A 50 1.884 15.756 -0.206 1.00 0.00 C ATOM 575 O VAL A 50 1.924 15.895 -1.412 1.00 0.00 O ATOM 576 CB VAL A 50 -0.281 14.796 0.608 1.00 0.00 C ATOM 577 CG1 VAL A 50 -1.489 15.068 1.509 1.00 0.00 C ATOM 578 CG2 VAL A 50 -0.778 14.528 -0.816 1.00 0.00 C ATOM 0 H VAL A 50 -1.034 16.929 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 50 0.916 16.288 1.621 1.00 0.00 H new ATOM 0 HB VAL A 50 0.277 13.934 0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.138 14.192 1.522 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.147 15.281 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.043 15.925 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.419 13.646 -0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.344 15.389 -1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.075 14.358 -1.473 1.00 0.00 H new ATOM 588 N GLN A 51 2.890 15.367 0.523 1.00 0.00 N ATOM 589 CA GLN A 51 4.212 15.050 -0.082 1.00 0.00 C ATOM 590 C GLN A 51 4.694 13.703 0.442 1.00 0.00 C ATOM 591 O GLN A 51 5.497 13.043 -0.187 1.00 0.00 O ATOM 592 CB GLN A 51 5.210 16.129 0.330 1.00 0.00 C ATOM 593 CG GLN A 51 4.612 17.485 -0.021 1.00 0.00 C ATOM 594 CD GLN A 51 5.060 18.511 1.017 1.00 0.00 C ATOM 595 OE1 GLN A 51 4.135 19.199 1.624 1.00 0.00 O flip ATOM 596 NE2 GLN A 51 6.232 18.693 1.282 1.00 0.00 N flip ATOM 0 H GLN A 51 2.850 15.253 1.536 1.00 0.00 H new ATOM 0 HA GLN A 51 4.125 15.012 -1.168 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.416 16.069 1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.159 15.987 -0.186 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.934 17.792 -1.016 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.524 17.422 -0.043 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.953 18.152 0.804 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.495 19.387 1.982 1.00 0.00 H new ATOM 605 N SER A 52 4.194 13.321 1.587 1.00 0.00 N ATOM 606 CA SER A 52 4.634 12.018 2.152 1.00 0.00 C ATOM 607 C SER A 52 3.462 11.051 2.087 1.00 0.00 C ATOM 608 O SER A 52 2.393 11.362 2.565 1.00 0.00 O ATOM 609 CB SER A 52 5.052 12.230 3.609 1.00 0.00 C ATOM 610 OG SER A 52 5.473 10.941 4.028 1.00 0.00 O ATOM 0 H SER A 52 3.516 13.842 2.143 1.00 0.00 H new ATOM 0 HA SER A 52 5.477 11.615 1.590 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.856 12.961 3.693 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.223 12.597 4.214 1.00 0.00 H new ATOM 0 HG SER A 52 5.765 10.980 4.963 1.00 0.00 H new ATOM 616 N ILE A 53 3.681 9.935 1.447 1.00 0.00 N ATOM 617 CA ILE A 53 2.611 8.913 1.336 1.00 0.00 C ATOM 618 C ILE A 53 3.165 7.670 2.005 1.00 0.00 C ATOM 619 O ILE A 53 3.952 6.938 1.438 1.00 0.00 O ATOM 620 CB ILE A 53 2.342 8.602 -0.127 1.00 0.00 C ATOM 621 CG1 ILE A 53 1.554 9.744 -0.798 1.00 0.00 C ATOM 622 CG2 ILE A 53 1.499 7.328 -0.214 1.00 0.00 C ATOM 623 CD1 ILE A 53 2.330 11.063 -0.720 1.00 0.00 C ATOM 0 H ILE A 53 4.562 9.689 0.995 1.00 0.00 H new ATOM 0 HA ILE A 53 1.682 9.256 1.792 1.00 0.00 H new ATOM 0 HB ILE A 53 3.298 8.480 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.359 9.493 -1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.585 9.858 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.299 7.095 -1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.041 6.501 0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.556 7.479 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.753 11.853 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.502 11.323 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.288 10.952 -1.229 1.00 0.00 H new ATOM 635 N ASN A 54 2.737 7.475 3.214 1.00 0.00 N ATOM 636 CA ASN A 54 3.222 6.290 3.965 1.00 0.00 C ATOM 637 C ASN A 54 2.157 5.208 3.787 1.00 0.00 C ATOM 638 O ASN A 54 0.980 5.491 3.863 1.00 0.00 O ATOM 639 CB ASN A 54 3.389 6.707 5.434 1.00 0.00 C ATOM 640 CG ASN A 54 2.359 5.993 6.300 1.00 0.00 C ATOM 641 OD1 ASN A 54 1.106 6.194 6.017 1.00 0.00 O flip ATOM 642 ND2 ASN A 54 2.676 5.265 7.219 1.00 0.00 N flip ATOM 0 H ASN A 54 2.080 8.076 3.712 1.00 0.00 H new ATOM 0 HA ASN A 54 4.182 5.910 3.615 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.395 6.465 5.777 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.271 7.786 5.530 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.662 5.114 7.433 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.956 4.805 7.777 1.00 0.00 H new ATOM 649 N TRP A 55 2.570 4.001 3.528 1.00 0.00 N ATOM 650 CA TRP A 55 1.558 2.927 3.342 1.00 0.00 C ATOM 651 C TRP A 55 1.562 2.025 4.577 1.00 0.00 C ATOM 652 O TRP A 55 2.448 1.212 4.740 1.00 0.00 O ATOM 653 CB TRP A 55 1.945 2.132 2.098 1.00 0.00 C ATOM 654 CG TRP A 55 1.733 3.015 0.863 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.675 3.788 0.249 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.583 3.093 0.168 1.00 0.00 C ATOM 657 NE1 TRP A 55 2.025 4.270 -0.795 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.757 3.914 -0.924 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.646 2.509 0.405 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.294 4.154 -1.781 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.699 2.750 -0.454 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.522 3.573 -1.549 1.00 0.00 C ATOM 0 H TRP A 55 3.545 3.714 3.438 1.00 0.00 H new ATOM 0 HA TRP A 55 0.558 3.342 3.217 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.986 1.815 2.161 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.340 1.228 2.024 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.699 3.963 0.544 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.478 4.887 -1.469 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.783 1.865 1.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.156 4.799 -2.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.661 2.295 -0.270 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.345 3.761 -2.223 1.00 0.00 H new ATOM 673 N LEU A 56 0.558 2.137 5.407 1.00 0.00 N ATOM 674 CA LEU A 56 0.554 1.290 6.629 1.00 0.00 C ATOM 675 C LEU A 56 0.095 -0.117 6.257 1.00 0.00 C ATOM 676 O LEU A 56 -1.063 -0.335 5.965 1.00 0.00 O ATOM 677 CB LEU A 56 -0.454 1.837 7.661 1.00 0.00 C ATOM 678 CG LEU A 56 -0.384 3.364 7.786 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.809 3.875 8.022 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.445 3.737 9.018 1.00 0.00 C ATOM 0 H LEU A 56 -0.240 2.763 5.294 1.00 0.00 H new ATOM 0 HA LEU A 56 1.560 1.288 7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.463 1.544 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.257 1.385 8.633 1.00 0.00 H new ATOM 0 HG LEU A 56 0.061 3.793 6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.795 4.961 8.116 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.441 3.591 7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.206 3.437 8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.495 4.822 9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.022 3.320 9.910 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.453 3.334 8.914 1.00 0.00 H new ATOM 692 N ARG A 57 1.013 -1.038 6.336 1.00 0.00 N ATOM 693 CA ARG A 57 0.680 -2.446 5.989 1.00 0.00 C ATOM 694 C ARG A 57 0.064 -3.062 7.232 1.00 0.00 C ATOM 695 O ARG A 57 0.444 -2.709 8.329 1.00 0.00 O ATOM 696 CB ARG A 57 1.969 -3.191 5.637 1.00 0.00 C ATOM 697 CG ARG A 57 1.672 -4.694 5.549 1.00 0.00 C ATOM 698 CD ARG A 57 2.975 -5.436 5.235 1.00 0.00 C ATOM 699 NE ARG A 57 3.893 -5.278 6.398 1.00 0.00 N ATOM 700 CZ ARG A 57 4.308 -6.339 7.036 1.00 0.00 C ATOM 701 NH1 ARG A 57 5.489 -6.820 6.760 1.00 0.00 N ATOM 702 NH2 ARG A 57 3.525 -6.885 7.926 1.00 0.00 N ATOM 0 H ARG A 57 1.978 -0.877 6.625 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.002 -2.501 5.140 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.365 -2.830 4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.731 -3.002 6.393 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.251 -5.051 6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.931 -4.888 4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.776 -6.491 5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.433 -5.034 4.332 1.00 0.00 H new ATOM 0 HE ARG A 57 4.195 -4.349 6.693 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.072 -6.368 6.056 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.829 -7.648 7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.607 -6.482 8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.831 -7.714 8.435 1.00 0.00 H new ATOM 716 N ASP A 58 -0.919 -3.896 7.037 1.00 0.00 N ATOM 717 CA ASP A 58 -1.574 -4.549 8.203 1.00 0.00 C ATOM 718 C ASP A 58 -2.241 -3.467 9.050 1.00 0.00 C ATOM 719 O ASP A 58 -3.446 -3.313 9.004 1.00 0.00 O ATOM 720 CB ASP A 58 -0.513 -5.297 9.024 1.00 0.00 C ATOM 721 CG ASP A 58 -1.211 -6.131 10.103 1.00 0.00 C ATOM 722 OD1 ASP A 58 -1.723 -5.510 11.021 1.00 0.00 O ATOM 723 OD2 ASP A 58 -1.193 -7.340 9.944 1.00 0.00 O ATOM 0 H ASP A 58 -1.296 -4.153 6.124 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.326 -5.265 7.872 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.079 -5.942 8.375 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.176 -4.588 9.483 1.00 0.00 H new ATOM 728 N GLY A 59 -1.436 -2.761 9.801 1.00 0.00 N ATOM 729 CA GLY A 59 -1.964 -1.657 10.652 1.00 0.00 C ATOM 730 C GLY A 59 -0.829 -0.726 11.108 1.00 0.00 C ATOM 731 O GLY A 59 -0.993 0.032 12.043 1.00 0.00 O ATOM 0 H GLY A 59 -0.428 -2.904 9.861 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.707 -1.086 10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.470 -2.074 11.523 1.00 0.00 H new ATOM 735 N VAL A 60 0.298 -0.797 10.444 1.00 0.00 N ATOM 736 CA VAL A 60 1.446 0.074 10.843 1.00 0.00 C ATOM 737 C VAL A 60 2.238 0.578 9.626 1.00 0.00 C ATOM 738 O VAL A 60 2.369 -0.109 8.633 1.00 0.00 O ATOM 739 CB VAL A 60 2.382 -0.739 11.749 1.00 0.00 C ATOM 740 CG1 VAL A 60 3.541 0.155 12.203 1.00 0.00 C ATOM 741 CG2 VAL A 60 1.606 -1.202 12.987 1.00 0.00 C ATOM 0 H VAL A 60 0.472 -1.414 9.651 1.00 0.00 H new ATOM 0 HA VAL A 60 1.049 0.945 11.364 1.00 0.00 H new ATOM 0 HB VAL A 60 2.764 -1.601 11.202 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.210 -0.416 12.847 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.091 0.509 11.331 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.147 1.009 12.755 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.265 -1.780 13.635 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.235 -0.333 13.530 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.765 -1.823 12.678 1.00 0.00 H new ATOM 751 N GLN A 61 2.757 1.772 9.757 1.00 0.00 N ATOM 752 CA GLN A 61 3.557 2.388 8.653 1.00 0.00 C ATOM 753 C GLN A 61 4.355 1.347 7.870 1.00 0.00 C ATOM 754 O GLN A 61 5.061 0.539 8.441 1.00 0.00 O ATOM 755 CB GLN A 61 4.513 3.413 9.277 1.00 0.00 C ATOM 756 CG GLN A 61 5.434 3.979 8.189 1.00 0.00 C ATOM 757 CD GLN A 61 6.696 3.115 8.107 1.00 0.00 C ATOM 758 OE1 GLN A 61 6.900 2.395 7.039 1.00 0.00 O flip ATOM 759 NE2 GLN A 61 7.503 3.086 9.014 1.00 0.00 N flip ATOM 0 H GLN A 61 2.660 2.353 10.590 1.00 0.00 H new ATOM 0 HA GLN A 61 2.875 2.863 7.947 1.00 0.00 H new ATOM 0 HB2 GLN A 61 3.946 4.218 9.744 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.105 2.943 10.062 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.920 3.988 7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.698 5.011 8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.349 3.647 9.852 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.335 2.501 8.938 1.00 0.00 H new ATOM 768 N LEU A 62 4.222 1.394 6.572 1.00 0.00 N ATOM 769 CA LEU A 62 4.965 0.415 5.731 1.00 0.00 C ATOM 770 C LEU A 62 5.295 0.963 4.337 1.00 0.00 C ATOM 771 O LEU A 62 4.553 1.718 3.733 1.00 0.00 O ATOM 772 CB LEU A 62 4.116 -0.852 5.579 1.00 0.00 C ATOM 773 CG LEU A 62 4.988 -2.116 5.729 1.00 0.00 C ATOM 774 CD1 LEU A 62 6.240 -2.011 4.853 1.00 0.00 C ATOM 775 CD2 LEU A 62 5.420 -2.256 7.193 1.00 0.00 C ATOM 0 H LEU A 62 3.639 2.059 6.064 1.00 0.00 H new ATOM 0 HA LEU A 62 5.910 0.203 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.326 -0.858 6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.629 -0.854 4.604 1.00 0.00 H new ATOM 0 HG LEU A 62 4.406 -2.984 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.843 -2.911 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.946 -1.906 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.823 -1.141 5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.037 -3.147 7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.994 -1.378 7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.537 -2.343 7.826 1.00 0.00 H new ATOM 787 N VAL A 63 6.504 0.660 3.966 1.00 0.00 N ATOM 788 CA VAL A 63 7.044 1.030 2.629 1.00 0.00 C ATOM 789 C VAL A 63 8.283 0.161 2.367 1.00 0.00 C ATOM 790 O VAL A 63 9.331 0.402 2.932 1.00 0.00 O ATOM 791 CB VAL A 63 7.333 2.540 2.631 1.00 0.00 C ATOM 792 CG1 VAL A 63 7.971 2.943 3.964 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.288 2.912 1.496 1.00 0.00 C ATOM 0 H VAL A 63 7.164 0.153 4.555 1.00 0.00 H new ATOM 0 HA VAL A 63 6.341 0.843 1.818 1.00 0.00 H new ATOM 0 HB VAL A 63 6.389 3.067 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.174 4.014 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.289 2.705 4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.904 2.397 4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.478 3.985 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.228 2.375 1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.840 2.642 0.540 1.00 0.00 H new ATOM 843 N ARG A 67 10.178 -6.093 -5.022 1.00 0.00 N ATOM 844 CA ARG A 67 8.974 -6.984 -5.016 1.00 0.00 C ATOM 845 C ARG A 67 7.704 -6.151 -4.797 1.00 0.00 C ATOM 846 O ARG A 67 6.728 -6.278 -5.511 1.00 0.00 O ATOM 847 CB ARG A 67 9.110 -8.023 -3.895 1.00 0.00 C ATOM 848 CG ARG A 67 10.437 -8.769 -4.070 1.00 0.00 C ATOM 849 CD ARG A 67 10.542 -9.844 -2.986 1.00 0.00 C ATOM 850 NE ARG A 67 11.837 -10.559 -3.165 1.00 0.00 N ATOM 851 CZ ARG A 67 11.832 -11.838 -3.426 1.00 0.00 C ATOM 852 NH1 ARG A 67 11.909 -12.226 -4.669 1.00 0.00 N ATOM 853 NH2 ARG A 67 11.750 -12.683 -2.437 1.00 0.00 N ATOM 0 HA ARG A 67 8.902 -7.493 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.078 -7.534 -2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.276 -8.724 -3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.487 -9.224 -5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.274 -8.074 -3.996 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.491 -9.392 -1.996 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.708 -10.542 -3.061 1.00 0.00 H new ATOM 0 HE ARG A 67 12.719 -10.054 -3.084 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.972 -11.534 -5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.907 -13.221 -4.894 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.691 -12.341 -1.478 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.745 -13.686 -2.622 1.00 0.00 H new ATOM 867 N THR A 68 7.763 -5.330 -3.784 1.00 0.00 N ATOM 868 CA THR A 68 6.645 -4.436 -3.423 1.00 0.00 C ATOM 869 C THR A 68 7.204 -3.021 -3.584 1.00 0.00 C ATOM 870 O THR A 68 7.834 -2.486 -2.694 1.00 0.00 O ATOM 871 CB THR A 68 6.270 -4.736 -1.967 1.00 0.00 C ATOM 872 OG1 THR A 68 7.485 -4.609 -1.241 1.00 0.00 O ATOM 873 CG2 THR A 68 5.909 -6.218 -1.805 1.00 0.00 C ATOM 0 H THR A 68 8.576 -5.246 -3.174 1.00 0.00 H new ATOM 0 HA THR A 68 5.751 -4.562 -4.034 1.00 0.00 H new ATOM 0 HB THR A 68 5.451 -4.090 -1.651 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.841 -3.703 -1.354 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.645 -6.417 -0.766 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.062 -6.458 -2.447 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.764 -6.833 -2.086 1.00 0.00 H new ATOM 881 N ARG A 69 6.954 -2.450 -4.730 1.00 0.00 N ATOM 882 CA ARG A 69 7.483 -1.089 -5.005 1.00 0.00 C ATOM 883 C ARG A 69 6.544 -0.086 -4.361 1.00 0.00 C ATOM 884 O ARG A 69 5.426 0.097 -4.795 1.00 0.00 O ATOM 885 CB ARG A 69 7.527 -0.868 -6.517 1.00 0.00 C ATOM 886 CG ARG A 69 8.799 -1.517 -7.072 1.00 0.00 C ATOM 887 CD ARG A 69 8.690 -1.587 -8.600 1.00 0.00 C ATOM 888 NE ARG A 69 8.427 -0.213 -9.113 1.00 0.00 N ATOM 889 CZ ARG A 69 7.194 0.164 -9.314 1.00 0.00 C ATOM 890 NH1 ARG A 69 6.446 -0.522 -10.133 1.00 0.00 N ATOM 891 NH2 ARG A 69 6.742 1.207 -8.673 1.00 0.00 N ATOM 0 H ARG A 69 6.408 -2.867 -5.484 1.00 0.00 H new ATOM 0 HA ARG A 69 8.489 -0.972 -4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.645 -1.302 -6.988 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.517 0.198 -6.743 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.676 -0.938 -6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.925 -2.517 -6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.611 -1.983 -9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.886 -2.262 -8.893 1.00 0.00 H new ATOM 0 HE ARG A 69 9.200 0.424 -9.304 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.827 -1.341 -10.607 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.480 -0.239 -10.300 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.350 1.712 -8.028 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.781 1.517 -8.817 1.00 0.00 H new ATOM 905 N ILE A 70 7.017 0.511 -3.308 1.00 0.00 N ATOM 906 CA ILE A 70 6.175 1.500 -2.589 1.00 0.00 C ATOM 907 C ILE A 70 6.509 2.908 -3.054 1.00 0.00 C ATOM 908 O ILE A 70 7.393 3.547 -2.519 1.00 0.00 O ATOM 909 CB ILE A 70 6.474 1.405 -1.101 1.00 0.00 C ATOM 910 CG1 ILE A 70 7.927 0.921 -0.873 1.00 0.00 C ATOM 911 CG2 ILE A 70 5.537 0.381 -0.459 1.00 0.00 C ATOM 912 CD1 ILE A 70 8.937 1.851 -1.558 1.00 0.00 C ATOM 0 H ILE A 70 7.946 0.358 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 70 5.125 1.289 -2.790 1.00 0.00 H new ATOM 0 HB ILE A 70 6.335 2.392 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.135 0.879 0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.041 -0.092 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.750 0.312 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.503 0.694 -0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.690 -0.593 -0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.948 1.485 -1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.743 1.872 -2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.839 2.858 -1.151 1.00 0.00 H new ATOM 924 N THR A 71 5.789 3.405 -4.017 1.00 0.00 N ATOM 925 CA THR A 71 6.149 4.773 -4.449 1.00 0.00 C ATOM 926 C THR A 71 5.367 5.771 -3.588 1.00 0.00 C ATOM 927 O THR A 71 4.262 5.496 -3.158 1.00 0.00 O ATOM 928 CB THR A 71 5.807 4.969 -5.920 1.00 0.00 C ATOM 929 OG1 THR A 71 4.422 5.257 -5.881 1.00 0.00 O ATOM 930 CG2 THR A 71 5.904 3.650 -6.694 1.00 0.00 C ATOM 0 H THR A 71 5.011 2.953 -4.498 1.00 0.00 H new ATOM 0 HA THR A 71 7.220 4.932 -4.326 1.00 0.00 H new ATOM 0 HB THR A 71 6.459 5.711 -6.381 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.925 4.445 -5.648 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.654 3.823 -7.741 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.919 3.260 -6.623 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.207 2.927 -6.269 1.00 0.00 H new ATOM 938 N GLY A 72 5.986 6.892 -3.343 1.00 0.00 N ATOM 939 CA GLY A 72 5.355 7.963 -2.518 1.00 0.00 C ATOM 940 C GLY A 72 3.937 8.336 -2.964 1.00 0.00 C ATOM 941 O GLY A 72 3.418 9.351 -2.549 1.00 0.00 O ATOM 0 H GLY A 72 6.920 7.116 -3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.324 7.637 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.983 8.853 -2.554 1.00 0.00 H new ATOM 945 N GLU A 73 3.356 7.563 -3.840 1.00 0.00 N ATOM 946 CA GLU A 73 1.963 7.866 -4.267 1.00 0.00 C ATOM 947 C GLU A 73 1.162 6.574 -4.469 1.00 0.00 C ATOM 948 O GLU A 73 -0.041 6.548 -4.306 1.00 0.00 O ATOM 949 CB GLU A 73 2.007 8.642 -5.585 1.00 0.00 C ATOM 950 CG GLU A 73 2.847 7.861 -6.602 1.00 0.00 C ATOM 951 CD GLU A 73 2.642 8.475 -7.989 1.00 0.00 C ATOM 952 OE1 GLU A 73 3.045 9.617 -8.140 1.00 0.00 O ATOM 953 OE2 GLU A 73 2.091 7.766 -8.815 1.00 0.00 O ATOM 0 H GLU A 73 3.781 6.743 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 73 1.477 8.458 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.997 8.791 -5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.436 9.631 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.901 7.896 -6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.553 6.811 -6.607 1.00 0.00 H new ATOM 960 N GLU A 74 1.838 5.507 -4.796 1.00 0.00 N ATOM 961 CA GLU A 74 1.092 4.246 -5.041 1.00 0.00 C ATOM 962 C GLU A 74 1.965 3.066 -4.652 1.00 0.00 C ATOM 963 O GLU A 74 3.162 3.089 -4.843 1.00 0.00 O ATOM 964 CB GLU A 74 0.761 4.154 -6.535 1.00 0.00 C ATOM 965 CG GLU A 74 -0.057 5.386 -6.950 1.00 0.00 C ATOM 966 CD GLU A 74 -0.272 5.380 -8.468 1.00 0.00 C ATOM 967 OE1 GLU A 74 0.540 4.761 -9.136 1.00 0.00 O ATOM 968 OE2 GLU A 74 -1.234 6.012 -8.873 1.00 0.00 O ATOM 0 H GLU A 74 2.851 5.454 -4.902 1.00 0.00 H new ATOM 0 HA GLU A 74 0.175 4.233 -4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.679 4.099 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.198 3.243 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.019 5.385 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.462 6.296 -6.651 1.00 0.00 H new ATOM 975 N VAL A 75 1.338 2.058 -4.131 1.00 0.00 N ATOM 976 CA VAL A 75 2.112 0.857 -3.728 1.00 0.00 C ATOM 977 C VAL A 75 1.817 -0.243 -4.724 1.00 0.00 C ATOM 978 O VAL A 75 0.672 -0.582 -4.933 1.00 0.00 O ATOM 979 CB VAL A 75 1.675 0.433 -2.334 1.00 0.00 C ATOM 980 CG1 VAL A 75 1.966 -1.061 -2.134 1.00 0.00 C ATOM 981 CG2 VAL A 75 2.509 1.224 -1.348 1.00 0.00 C ATOM 0 H VAL A 75 0.332 2.011 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 75 3.182 1.067 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 75 0.609 0.612 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.652 -1.362 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.418 -1.641 -2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.035 -1.242 -2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.227 0.950 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.565 1.002 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.336 2.290 -1.498 1.00 0.00 H new ATOM 991 N GLU A 76 2.853 -0.729 -5.345 1.00 0.00 N ATOM 992 CA GLU A 76 2.650 -1.822 -6.337 1.00 0.00 C ATOM 993 C GLU A 76 3.407 -3.097 -5.932 1.00 0.00 C ATOM 994 O GLU A 76 4.617 -3.156 -6.001 1.00 0.00 O ATOM 995 CB GLU A 76 3.131 -1.307 -7.698 1.00 0.00 C ATOM 996 CG GLU A 76 2.539 0.101 -7.890 1.00 0.00 C ATOM 997 CD GLU A 76 2.598 0.508 -9.366 1.00 0.00 C ATOM 998 OE1 GLU A 76 3.600 0.177 -9.977 1.00 0.00 O ATOM 999 OE2 GLU A 76 1.634 1.135 -9.772 1.00 0.00 O ATOM 0 H GLU A 76 3.817 -0.424 -5.213 1.00 0.00 H new ATOM 0 HA GLU A 76 1.595 -2.091 -6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.220 -1.274 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.806 -1.973 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.506 0.119 -7.542 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.091 0.820 -7.285 1.00 0.00 H new ATOM 1006 N VAL A 77 2.665 -4.092 -5.521 1.00 0.00 N ATOM 1007 CA VAL A 77 3.292 -5.383 -5.104 1.00 0.00 C ATOM 1008 C VAL A 77 3.030 -6.355 -6.253 1.00 0.00 C ATOM 1009 O VAL A 77 1.895 -6.658 -6.554 1.00 0.00 O ATOM 1010 CB VAL A 77 2.637 -5.871 -3.784 1.00 0.00 C ATOM 1011 CG1 VAL A 77 2.964 -4.862 -2.682 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.115 -5.903 -3.932 1.00 0.00 C ATOM 0 H VAL A 77 1.647 -4.067 -5.456 1.00 0.00 H new ATOM 0 HA VAL A 77 4.361 -5.291 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 77 3.012 -6.867 -3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.512 -5.187 -1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.045 -4.795 -2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.568 -3.884 -2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.666 -6.247 -3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.751 -4.902 -4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.842 -6.583 -4.739 1.00 0.00 H new ATOM 1022 N ARG A 78 4.080 -6.830 -6.864 1.00 0.00 N ATOM 1023 CA ARG A 78 3.889 -7.735 -8.039 1.00 0.00 C ATOM 1024 C ARG A 78 4.151 -9.185 -7.669 1.00 0.00 C ATOM 1025 O ARG A 78 4.970 -9.849 -8.272 1.00 0.00 O ATOM 1026 CB ARG A 78 4.867 -7.316 -9.150 1.00 0.00 C ATOM 1027 CG ARG A 78 5.402 -5.918 -8.843 1.00 0.00 C ATOM 1028 CD ARG A 78 4.224 -4.947 -8.810 1.00 0.00 C ATOM 1029 NE ARG A 78 3.927 -4.523 -10.206 1.00 0.00 N ATOM 1030 CZ ARG A 78 3.691 -3.265 -10.447 1.00 0.00 C ATOM 1031 NH1 ARG A 78 2.466 -2.893 -10.705 1.00 0.00 N ATOM 1032 NH2 ARG A 78 4.681 -2.418 -10.404 1.00 0.00 N ATOM 0 H ARG A 78 5.048 -6.637 -6.608 1.00 0.00 H new ATOM 0 HA ARG A 78 2.856 -7.650 -8.378 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.690 -8.028 -9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.363 -7.322 -10.117 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.924 -5.913 -7.886 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.123 -5.613 -9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.351 -5.424 -8.365 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.463 -4.081 -8.193 1.00 0.00 H new ATOM 0 HE ARG A 78 3.909 -5.207 -10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.715 -3.583 -10.715 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.260 -1.912 -10.896 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.622 -2.744 -10.184 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.515 -1.429 -10.590 1.00 0.00 H new ATOM 1046 N ASP A 79 3.443 -9.656 -6.682 1.00 0.00 N ATOM 1047 CA ASP A 79 3.681 -11.064 -6.283 1.00 0.00 C ATOM 1048 C ASP A 79 2.535 -11.642 -5.464 1.00 0.00 C ATOM 1049 O ASP A 79 2.199 -12.799 -5.612 1.00 0.00 O ATOM 1050 CB ASP A 79 4.979 -11.126 -5.471 1.00 0.00 C ATOM 1051 CG ASP A 79 5.816 -12.314 -5.959 1.00 0.00 C ATOM 1052 OD1 ASP A 79 6.251 -12.236 -7.096 1.00 0.00 O ATOM 1053 OD2 ASP A 79 5.969 -13.230 -5.168 1.00 0.00 O ATOM 0 H ASP A 79 2.735 -9.147 -6.152 1.00 0.00 H new ATOM 0 HA ASP A 79 3.756 -11.665 -7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.539 -10.198 -5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.755 -11.234 -4.410 1.00 0.00 H new ATOM 1058 N SER A 80 1.917 -10.822 -4.658 1.00 0.00 N ATOM 1059 CA SER A 80 0.834 -11.369 -3.794 1.00 0.00 C ATOM 1060 C SER A 80 1.503 -12.450 -2.939 1.00 0.00 C ATOM 1061 O SER A 80 1.422 -13.629 -3.220 1.00 0.00 O ATOM 1062 CB SER A 80 -0.271 -11.976 -4.668 1.00 0.00 C ATOM 1063 OG SER A 80 -1.133 -12.604 -3.731 1.00 0.00 O ATOM 0 H SER A 80 2.108 -9.825 -4.561 1.00 0.00 H new ATOM 0 HA SER A 80 0.370 -10.601 -3.175 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.793 -11.211 -5.242 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.132 -12.692 -5.384 1.00 0.00 H new ATOM 0 HG SER A 80 -1.288 -12.001 -2.974 1.00 0.00 H new ATOM 1069 N ILE A 81 2.149 -11.991 -1.904 1.00 0.00 N ATOM 1070 CA ILE A 81 2.892 -12.909 -0.994 1.00 0.00 C ATOM 1071 C ILE A 81 2.442 -12.576 0.422 1.00 0.00 C ATOM 1072 O ILE A 81 1.849 -11.540 0.625 1.00 0.00 O ATOM 1073 CB ILE A 81 4.393 -12.623 -1.158 1.00 0.00 C ATOM 1074 CG1 ILE A 81 4.607 -11.104 -1.298 1.00 0.00 C ATOM 1075 CG2 ILE A 81 4.883 -13.320 -2.431 1.00 0.00 C ATOM 1076 CD1 ILE A 81 6.108 -10.806 -1.255 1.00 0.00 C ATOM 0 H ILE A 81 2.195 -11.005 -1.646 1.00 0.00 H new ATOM 0 HA ILE A 81 2.704 -13.960 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 81 4.943 -12.990 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.179 -10.748 -2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.095 -10.576 -0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.948 -13.128 -2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.716 -14.394 -2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.335 -12.935 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.269 -9.732 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.520 -11.149 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.605 -11.324 -2.075 1.00 0.00 H new ATOM 1088 N PRO A 82 2.727 -13.428 1.369 1.00 0.00 N ATOM 1089 CA PRO A 82 2.281 -13.218 2.766 1.00 0.00 C ATOM 1090 C PRO A 82 2.266 -11.735 3.170 1.00 0.00 C ATOM 1091 O PRO A 82 1.438 -11.316 3.953 1.00 0.00 O ATOM 1092 CB PRO A 82 3.269 -14.037 3.599 1.00 0.00 C ATOM 1093 CG PRO A 82 3.915 -15.073 2.625 1.00 0.00 C ATOM 1094 CD PRO A 82 3.572 -14.633 1.184 1.00 0.00 C ATOM 0 HA PRO A 82 1.249 -13.535 2.915 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.030 -13.394 4.042 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.760 -14.541 4.420 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.995 -15.111 2.767 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.532 -16.074 2.821 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.471 -14.406 0.611 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.039 -15.415 0.644 1.00 0.00 H new ATOM 1102 N ALA A 83 3.161 -10.969 2.608 1.00 0.00 N ATOM 1103 CA ALA A 83 3.223 -9.516 2.948 1.00 0.00 C ATOM 1104 C ALA A 83 1.896 -8.767 2.724 1.00 0.00 C ATOM 1105 O ALA A 83 1.696 -7.698 3.263 1.00 0.00 O ATOM 1106 CB ALA A 83 4.307 -8.870 2.083 1.00 0.00 C ATOM 0 H ALA A 83 3.852 -11.285 1.928 1.00 0.00 H new ATOM 0 HA ALA A 83 3.444 -9.443 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.371 -7.807 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.267 -9.344 2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.057 -8.998 1.030 1.00 0.00 H new ATOM 1112 N ASP A 84 1.044 -9.291 1.887 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.251 -8.600 1.631 1.00 0.00 C ATOM 1114 C ASP A 84 -1.417 -9.166 2.464 1.00 0.00 C ATOM 1115 O ASP A 84 -2.555 -9.145 2.040 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.549 -8.712 0.134 1.00 0.00 C ATOM 1117 CG ASP A 84 0.720 -8.342 -0.644 1.00 0.00 C ATOM 1118 OD1 ASP A 84 0.948 -7.149 -0.770 1.00 0.00 O ATOM 1119 OD2 ASP A 84 1.390 -9.275 -1.055 1.00 0.00 O ATOM 0 H ASP A 84 1.186 -10.160 1.373 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.156 -7.558 1.937 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.864 -9.725 -0.115 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.368 -8.047 -0.140 1.00 0.00 H new ATOM 1124 N SER A 85 -1.104 -9.749 3.590 1.00 0.00 N ATOM 1125 CA SER A 85 -2.186 -10.265 4.481 1.00 0.00 C ATOM 1126 C SER A 85 -2.472 -9.250 5.601 1.00 0.00 C ATOM 1127 O SER A 85 -2.035 -9.432 6.720 1.00 0.00 O ATOM 1128 CB SER A 85 -1.727 -11.587 5.101 1.00 0.00 C ATOM 1129 OG SER A 85 -0.556 -11.223 5.817 1.00 0.00 O ATOM 0 H SER A 85 -0.153 -9.890 3.931 1.00 0.00 H new ATOM 0 HA SER A 85 -3.095 -10.418 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.487 -12.008 5.760 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.516 -12.337 4.339 1.00 0.00 H new ATOM 0 HG SER A 85 -0.805 -10.699 6.607 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.194 -8.203 5.299 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.479 -7.201 6.368 1.00 0.00 C ATOM 1137 C GLY A 86 -4.116 -5.935 5.789 1.00 0.00 C ATOM 1138 O GLY A 86 -4.463 -5.876 4.626 1.00 0.00 O ATOM 0 H GLY A 86 -3.591 -8.000 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.146 -7.639 7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.554 -6.942 6.883 1.00 0.00 H new ATOM 1142 N LEU A 87 -4.257 -4.922 6.601 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.881 -3.688 6.058 1.00 0.00 C ATOM 1144 C LEU A 87 -3.802 -2.741 5.548 1.00 0.00 C ATOM 1145 O LEU A 87 -2.845 -2.448 6.237 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.689 -3.008 7.171 1.00 0.00 C ATOM 1147 CG LEU A 87 -7.179 -3.297 6.951 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.426 -4.802 7.093 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -7.988 -2.561 8.024 1.00 0.00 C ATOM 0 H LEU A 87 -3.978 -4.895 7.582 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.541 -3.945 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.373 -3.379 8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.509 -1.933 7.165 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.479 -2.964 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.484 -5.013 6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.836 -5.339 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.134 -5.126 8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.050 -2.759 7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.686 -2.911 9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.804 -1.489 7.947 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.964 -2.318 4.325 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.982 -1.366 3.746 1.00 0.00 C ATOM 1163 C TYR A 88 -3.636 0.001 3.733 1.00 0.00 C ATOM 1164 O TYR A 88 -4.247 0.413 2.769 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.637 -1.767 2.324 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.406 -2.661 2.374 1.00 0.00 C ATOM 1167 CD1 TYR A 88 -0.141 -2.118 2.423 1.00 0.00 C ATOM 1168 CD2 TYR A 88 -1.555 -4.027 2.373 1.00 0.00 C ATOM 1169 CE1 TYR A 88 0.965 -2.938 2.470 1.00 0.00 C ATOM 1170 CE2 TYR A 88 -0.458 -4.853 2.411 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.817 -4.312 2.460 1.00 0.00 C ATOM 1172 OH TYR A 88 1.942 -5.108 2.491 1.00 0.00 O ATOM 0 H TYR A 88 -4.729 -2.589 3.707 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.065 -1.363 4.335 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.472 -2.294 1.863 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.442 -0.884 1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.016 -1.045 2.425 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.546 -4.456 2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.953 -2.505 2.515 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.589 -5.925 2.403 1.00 0.00 H new ATOM 0 HH TYR A 88 1.698 -6.008 2.791 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.499 0.674 4.833 1.00 0.00 N ATOM 1183 CA ALA A 89 -4.116 2.018 4.911 1.00 0.00 C ATOM 1184 C ALA A 89 -3.023 2.994 4.509 1.00 0.00 C ATOM 1185 O ALA A 89 -1.934 2.968 5.040 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.565 2.279 6.344 1.00 0.00 C ATOM 0 H ALA A 89 -2.998 0.361 5.665 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.989 2.115 4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.020 3.267 6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.293 1.524 6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.703 2.233 7.010 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.326 3.854 3.588 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.271 4.792 3.145 1.00 0.00 C ATOM 1194 C CYS A 90 -2.537 6.150 3.746 1.00 0.00 C ATOM 1195 O CYS A 90 -3.647 6.640 3.670 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.306 4.899 1.638 1.00 0.00 C ATOM 1197 SG CYS A 90 -0.897 5.741 0.880 1.00 0.00 S ATOM 0 H CYS A 90 -4.234 3.948 3.132 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.294 4.431 3.466 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -2.372 3.894 1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.217 5.423 1.350 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.495 6.707 4.295 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.623 8.045 4.927 1.00 0.00 C ATOM 1204 C VAL A 91 -0.848 9.061 4.100 1.00 0.00 C ATOM 1205 O VAL A 91 0.343 8.921 3.904 1.00 0.00 O ATOM 1206 CB VAL A 91 -1.030 8.021 6.334 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.437 9.306 7.063 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -1.588 6.821 7.095 1.00 0.00 C ATOM 0 H VAL A 91 -0.563 6.294 4.333 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.679 8.312 4.978 1.00 0.00 H new ATOM 0 HB VAL A 91 0.056 7.948 6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.019 9.301 8.070 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.058 10.170 6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.524 9.363 7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.167 6.800 8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.673 6.902 7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.323 5.903 6.571 1.00 0.00 H new ATOM 1218 N THR A 92 -1.553 10.061 3.655 1.00 0.00 N ATOM 1219 CA THR A 92 -0.913 11.125 2.841 1.00 0.00 C ATOM 1220 C THR A 92 -0.793 12.328 3.767 1.00 0.00 C ATOM 1221 O THR A 92 -1.746 12.686 4.431 1.00 0.00 O ATOM 1222 CB THR A 92 -1.809 11.445 1.641 1.00 0.00 C ATOM 1223 OG1 THR A 92 -3.049 11.864 2.196 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.155 10.162 0.885 1.00 0.00 C ATOM 0 H THR A 92 -2.551 10.187 3.822 1.00 0.00 H new ATOM 0 HA THR A 92 0.062 10.831 2.453 1.00 0.00 H new ATOM 0 HB THR A 92 -1.317 12.167 0.990 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.918 12.122 3.132 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.792 10.402 0.034 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.239 9.690 0.530 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.681 9.478 1.551 1.00 0.00 H new ATOM 1232 N SER A 93 0.383 12.889 3.811 1.00 0.00 N ATOM 1233 CA SER A 93 0.603 14.048 4.717 1.00 0.00 C ATOM 1234 C SER A 93 1.227 15.237 3.995 1.00 0.00 C ATOM 1235 O SER A 93 2.100 15.081 3.162 1.00 0.00 O ATOM 1236 CB SER A 93 1.538 13.610 5.843 1.00 0.00 C ATOM 1237 OG SER A 93 1.472 14.684 6.770 1.00 0.00 O ATOM 0 H SER A 93 1.194 12.598 3.264 1.00 0.00 H new ATOM 0 HA SER A 93 -0.367 14.365 5.101 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.212 12.672 6.293 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.555 13.454 5.482 1.00 0.00 H new ATOM 0 HG SER A 93 2.048 14.489 7.539 1.00 0.00 H new ATOM 1243 N SER A 94 0.716 16.378 4.375 1.00 0.00 N ATOM 1244 CA SER A 94 1.168 17.688 3.828 1.00 0.00 C ATOM 1245 C SER A 94 1.590 18.548 5.023 1.00 0.00 C ATOM 1246 O SER A 94 1.305 18.206 6.152 1.00 0.00 O ATOM 1247 CB SER A 94 -0.023 18.361 3.137 1.00 0.00 C ATOM 1248 OG SER A 94 -0.672 19.060 4.191 1.00 0.00 O ATOM 0 H SER A 94 -0.026 16.456 5.070 1.00 0.00 H new ATOM 0 HA SER A 94 1.987 17.565 3.119 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.302 19.039 2.348 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.685 17.628 2.675 1.00 0.00 H new ATOM 0 HG SER A 94 -1.457 19.529 3.838 1.00 0.00 H new ATOM 1254 N PRO A 95 2.167 19.686 4.740 1.00 0.00 N ATOM 1255 CA PRO A 95 2.985 20.421 5.729 1.00 0.00 C ATOM 1256 C PRO A 95 2.198 20.707 7.014 1.00 0.00 C ATOM 1257 O PRO A 95 2.773 21.094 8.013 1.00 0.00 O ATOM 1258 CB PRO A 95 3.382 21.725 5.027 1.00 0.00 C ATOM 1259 CG PRO A 95 2.939 21.600 3.540 1.00 0.00 C ATOM 1260 CD PRO A 95 2.018 20.372 3.435 1.00 0.00 C ATOM 0 HA PRO A 95 3.853 19.840 6.040 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.900 22.580 5.502 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.458 21.887 5.096 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.416 22.501 3.219 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.806 21.486 2.890 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.984 20.665 3.256 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.313 19.724 2.610 1.00 0.00 H new ATOM 1268 N SER A 96 0.905 20.513 6.971 1.00 0.00 N ATOM 1269 CA SER A 96 0.101 20.784 8.200 1.00 0.00 C ATOM 1270 C SER A 96 -1.252 20.064 8.154 1.00 0.00 C ATOM 1271 O SER A 96 -2.228 20.536 8.705 1.00 0.00 O ATOM 1272 CB SER A 96 -0.126 22.296 8.301 1.00 0.00 C ATOM 1273 OG SER A 96 -0.712 22.469 9.584 1.00 0.00 O ATOM 0 H SER A 96 0.381 20.187 6.159 1.00 0.00 H new ATOM 0 HA SER A 96 0.644 20.413 9.069 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.810 22.847 8.212 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.784 22.655 7.510 1.00 0.00 H new ATOM 0 HG SER A 96 -1.551 21.965 9.631 1.00 0.00 H new ATOM 1279 N GLY A 97 -1.284 18.934 7.501 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.570 18.181 7.414 1.00 0.00 C ATOM 1281 C GLY A 97 -2.324 16.716 7.057 1.00 0.00 C ATOM 1282 O GLY A 97 -1.408 16.409 6.320 1.00 0.00 O ATOM 0 H GLY A 97 -0.488 18.504 7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -3.097 18.243 8.366 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.213 18.639 6.663 1.00 0.00 H new ATOM 1286 N SER A 98 -3.159 15.852 7.573 1.00 0.00 N ATOM 1287 CA SER A 98 -3.001 14.400 7.274 1.00 0.00 C ATOM 1288 C SER A 98 -4.351 13.770 6.915 1.00 0.00 C ATOM 1289 O SER A 98 -5.353 14.027 7.552 1.00 0.00 O ATOM 1290 CB SER A 98 -2.428 13.707 8.513 1.00 0.00 C ATOM 1291 OG SER A 98 -2.256 12.360 8.095 1.00 0.00 O ATOM 0 H SER A 98 -3.940 16.089 8.186 1.00 0.00 H new ATOM 0 HA SER A 98 -2.330 14.279 6.424 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.483 14.155 8.821 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.107 13.779 9.362 1.00 0.00 H new ATOM 0 HG SER A 98 -1.886 11.833 8.834 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.338 12.957 5.892 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.594 12.280 5.453 1.00 0.00 C ATOM 1299 C ASP A 99 -5.282 10.817 5.138 1.00 0.00 C ATOM 1300 O ASP A 99 -4.269 10.534 4.530 1.00 0.00 O ATOM 1301 CB ASP A 99 -6.112 12.977 4.194 1.00 0.00 C ATOM 1302 CG ASP A 99 -6.309 14.465 4.493 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -7.203 14.745 5.275 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -5.550 15.235 3.928 1.00 0.00 O ATOM 0 H ASP A 99 -3.510 12.732 5.340 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.349 12.331 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.405 12.848 3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.053 12.529 3.876 1.00 0.00 H new ATOM 1309 N THR A 100 -6.162 9.933 5.523 1.00 0.00 N ATOM 1310 CA THR A 100 -5.894 8.490 5.263 1.00 0.00 C ATOM 1311 C THR A 100 -7.007 7.790 4.474 1.00 0.00 C ATOM 1312 O THR A 100 -8.177 8.095 4.592 1.00 0.00 O ATOM 1313 CB THR A 100 -5.717 7.795 6.610 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.613 8.461 7.205 1.00 0.00 O ATOM 1315 CG2 THR A 100 -5.241 6.351 6.425 1.00 0.00 C ATOM 0 H THR A 100 -7.040 10.142 5.998 1.00 0.00 H new ATOM 0 HA THR A 100 -4.997 8.426 4.647 1.00 0.00 H new ATOM 0 HB THR A 100 -6.651 7.813 7.172 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.432 8.071 8.086 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.123 5.879 7.400 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.976 5.798 5.841 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.285 6.347 5.902 1.00 0.00 H new ATOM 1323 N THR A 101 -6.562 6.851 3.686 1.00 0.00 N ATOM 1324 CA THR A 101 -7.468 6.026 2.830 1.00 0.00 C ATOM 1325 C THR A 101 -7.144 4.551 3.124 1.00 0.00 C ATOM 1326 O THR A 101 -5.986 4.193 3.083 1.00 0.00 O ATOM 1327 CB THR A 101 -7.138 6.358 1.365 1.00 0.00 C ATOM 1328 OG1 THR A 101 -6.016 7.231 1.424 1.00 0.00 O ATOM 1329 CG2 THR A 101 -8.226 7.229 0.733 1.00 0.00 C ATOM 0 H THR A 101 -5.574 6.612 3.596 1.00 0.00 H new ATOM 0 HA THR A 101 -8.523 6.221 3.023 1.00 0.00 H new ATOM 0 HB THR A 101 -7.007 5.431 0.808 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.749 7.483 0.515 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.963 7.446 -0.302 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.178 6.700 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.313 8.163 1.289 1.00 0.00 H new ATOM 1337 N TYR A 102 -8.110 3.701 3.384 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.709 2.293 3.708 1.00 0.00 C ATOM 1339 C TYR A 102 -7.969 1.237 2.627 1.00 0.00 C ATOM 1340 O TYR A 102 -9.085 0.911 2.283 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.418 1.838 4.979 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.301 2.905 6.063 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -8.963 4.109 5.943 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -7.532 2.666 7.180 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -8.852 5.067 6.929 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -7.420 3.624 8.168 1.00 0.00 C ATOM 1347 CZ TYR A 102 -8.079 4.831 8.048 1.00 0.00 C ATOM 1348 OH TYR A 102 -7.966 5.789 9.034 1.00 0.00 O ATOM 0 H TYR A 102 -9.110 3.904 3.387 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.626 2.351 3.813 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.469 1.640 4.766 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.982 0.903 5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.572 4.303 5.072 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.014 1.724 7.284 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.373 6.007 6.825 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.813 3.428 9.040 1.00 0.00 H new ATOM 0 HH TYR A 102 -7.385 5.456 9.749 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.892 0.684 2.155 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.946 -0.382 1.123 1.00 0.00 C ATOM 1360 C PHE A 103 -6.647 -1.690 1.831 1.00 0.00 C ATOM 1361 O PHE A 103 -5.502 -2.015 2.070 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.839 -0.164 0.101 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.956 1.231 -0.485 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.578 2.331 0.258 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -6.446 1.398 -1.761 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.694 3.595 -0.274 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -6.563 2.664 -2.295 1.00 0.00 C ATOM 1368 CZ PHE A 103 -6.193 3.763 -1.547 1.00 0.00 C ATOM 0 H PHE A 103 -5.949 0.934 2.451 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.917 -0.381 0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.865 -0.291 0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.909 -0.909 -0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.191 2.200 1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.739 0.537 -2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.394 4.455 0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.944 2.795 -3.297 1.00 0.00 H new ATOM 0 HZ PHE A 103 -6.295 4.756 -1.960 1.00 0.00 H new ATOM 1378 N SER A 104 -7.659 -2.426 2.178 1.00 0.00 N ATOM 1379 CA SER A 104 -7.342 -3.708 2.853 1.00 0.00 C ATOM 1380 C SER A 104 -6.928 -4.696 1.763 1.00 0.00 C ATOM 1381 O SER A 104 -7.568 -4.830 0.740 1.00 0.00 O ATOM 1382 CB SER A 104 -8.580 -4.203 3.601 1.00 0.00 C ATOM 1383 OG SER A 104 -9.623 -4.022 2.658 1.00 0.00 O ATOM 0 H SER A 104 -8.646 -2.212 2.034 1.00 0.00 H new ATOM 0 HA SER A 104 -6.537 -3.595 3.579 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.481 -5.248 3.896 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.756 -3.630 4.511 1.00 0.00 H new ATOM 0 HG SER A 104 -10.052 -4.884 2.475 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.821 -5.341 1.988 1.00 0.00 N ATOM 1390 CA VAL A 105 -5.325 -6.316 0.975 1.00 0.00 C ATOM 1391 C VAL A 105 -5.054 -7.649 1.666 1.00 0.00 C ATOM 1392 O VAL A 105 -4.493 -7.714 2.741 1.00 0.00 O ATOM 1393 CB VAL A 105 -4.038 -5.778 0.321 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -4.023 -4.252 0.419 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -2.815 -6.356 1.031 1.00 0.00 C ATOM 0 H VAL A 105 -5.241 -5.239 2.821 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.074 -6.459 0.196 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.010 -6.075 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.114 -3.867 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.893 -3.846 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.052 -3.954 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.908 -5.972 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.833 -6.066 2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.830 -7.443 0.955 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.460 -8.691 1.004 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.279 -10.048 1.591 1.00 0.00 C ATOM 1407 C ASN A 106 -4.664 -11.052 0.620 1.00 0.00 C ATOM 1408 O ASN A 106 -5.172 -11.285 -0.458 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.647 -10.556 2.038 1.00 0.00 C ATOM 1410 CG ASN A 106 -7.619 -10.523 0.859 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -7.951 -11.646 0.284 1.00 0.00 O flip ATOM 1412 ND2 ASN A 106 -8.086 -9.477 0.453 1.00 0.00 N flip ATOM 0 H ASN A 106 -5.907 -8.666 0.087 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.583 -9.958 2.425 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.561 -11.572 2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.027 -9.939 2.852 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.829 -8.597 0.899 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.735 -9.480 -0.334 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.555 -11.604 1.031 1.00 0.00 N ATOM 1420 CA VAL A 107 -2.880 -12.625 0.179 1.00 0.00 C ATOM 1421 C VAL A 107 -3.079 -14.042 0.725 1.00 0.00 C ATOM 1422 O VAL A 107 -2.687 -14.357 1.831 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.385 -12.331 0.149 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -0.885 -12.241 1.596 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -0.684 -13.504 -0.546 1.00 0.00 C ATOM 0 H VAL A 107 -3.089 -11.394 1.914 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.317 -12.573 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.180 -11.400 -0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.185 -12.031 1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.413 -11.441 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.070 -13.187 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.389 -13.318 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.875 -14.423 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.067 -13.607 -1.561 1.00 0.00 H new ATOM 1435 N SER A 108 -3.713 -14.860 -0.069 1.00 0.00 N ATOM 1436 CA SER A 108 -3.930 -16.271 0.348 1.00 0.00 C ATOM 1437 C SER A 108 -4.233 -17.123 -0.884 1.00 0.00 C ATOM 1438 O SER A 108 -4.795 -16.645 -1.849 1.00 0.00 O ATOM 1439 CB SER A 108 -5.101 -16.328 1.334 1.00 0.00 C ATOM 1440 OG SER A 108 -4.463 -16.392 2.602 1.00 0.00 O ATOM 0 H SER A 108 -4.088 -14.613 -0.985 1.00 0.00 H new ATOM 0 HA SER A 108 -3.035 -16.659 0.834 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.740 -15.449 1.250 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.732 -17.199 1.158 1.00 0.00 H new ATOM 0 HG SER A 108 -3.734 -15.738 2.635 1.00 0.00 H new