USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 608 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 74 THR OG1 : rot -33:sc= 0.51 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.104 X(o=0.41,f=0.22) USER MOD Set 2.1: A 70 SER OG : rot 43:sc= -3.34! USER MOD Set 2.2: A 73 HIS : no HD1:sc= -6.89! C(o=-10!,f=-10!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0.175 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.07 X(o=-1.1,f=-0.61) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 25:sc= 0.985 USER MOD Single : A 31 SER OG : rot 21:sc= -1.1 USER MOD Single : A 32 GLN : amide:sc= -2.35 X(o=-2.4,f=-2.3) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -151:sc= -3.02! USER MOD Single : A 42 MET CE :methyl 151:sc= -0.0692 (180deg=-0.388) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 48 ASN : amide:sc= -4.56! C(o=-4.6!,f=-5.1!) USER MOD Single : A 49 GLN : amide:sc= -0.236 X(o=-0.24,f=0) USER MOD Single : A 50 SER OG : rot 151:sc= -0.858 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.0245 (180deg=-0.297) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0.35) USER MOD Single : A 63 CYS SG : rot 36:sc= -0.257 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot -97:sc= -1.64! USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.332 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 8 -2.850 12.526 -9.661 1.00 0.00 N ATOM 152 CA GLU A 8 -2.239 11.297 -9.170 1.00 0.00 C ATOM 153 C GLU A 8 -0.728 11.458 -9.031 1.00 0.00 C ATOM 154 O GLU A 8 0.025 10.494 -9.175 1.00 0.00 O ATOM 155 CB GLU A 8 -2.555 10.132 -10.111 1.00 0.00 C ATOM 156 CG GLU A 8 -4.034 9.994 -10.432 1.00 0.00 C ATOM 157 CD GLU A 8 -4.341 8.747 -11.239 1.00 0.00 C ATOM 158 OE1 GLU A 8 -4.545 7.679 -10.625 1.00 0.00 O ATOM 159 OE2 GLU A 8 -4.378 8.840 -12.484 1.00 0.00 O ATOM 0 HA GLU A 8 -2.656 11.083 -8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.001 10.266 -11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.202 9.205 -9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.603 9.970 -9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.365 10.872 -10.986 1.00 0.00 H new ATOM 166 N ILE A 9 -0.292 12.681 -8.753 1.00 0.00 N ATOM 167 CA ILE A 9 1.128 12.968 -8.595 1.00 0.00 C ATOM 168 C ILE A 9 1.682 12.321 -7.330 1.00 0.00 C ATOM 169 O ILE A 9 2.635 11.544 -7.385 1.00 0.00 O ATOM 170 CB ILE A 9 1.393 14.485 -8.539 1.00 0.00 C ATOM 171 CG1 ILE A 9 0.735 15.183 -9.731 1.00 0.00 C ATOM 172 CG2 ILE A 9 2.889 14.760 -8.517 1.00 0.00 C ATOM 173 CD1 ILE A 9 0.872 16.689 -9.700 1.00 0.00 C ATOM 0 H ILE A 9 -0.902 13.490 -8.632 1.00 0.00 H new ATOM 0 HA ILE A 9 1.633 12.550 -9.466 1.00 0.00 H new ATOM 0 HB ILE A 9 0.957 14.883 -7.623 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.177 14.805 -10.653 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.323 14.923 -9.755 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.061 15.836 -8.477 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.333 14.289 -7.640 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.347 14.352 -9.418 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.382 17.117 -10.575 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.404 17.078 -8.796 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.928 16.958 -9.707 1.00 0.00 H new ATOM 185 N GLY A 10 1.077 12.644 -6.191 1.00 0.00 N ATOM 186 CA GLY A 10 1.523 12.083 -4.929 1.00 0.00 C ATOM 187 C GLY A 10 0.864 10.754 -4.621 1.00 0.00 C ATOM 188 O GLY A 10 0.863 10.303 -3.475 1.00 0.00 O ATOM 0 H GLY A 10 0.286 13.284 -6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.605 11.951 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.307 12.787 -4.125 1.00 0.00 H new ATOM 192 N LYS A 11 0.299 10.123 -5.645 1.00 0.00 N ATOM 193 CA LYS A 11 -0.367 8.837 -5.479 1.00 0.00 C ATOM 194 C LYS A 11 0.569 7.688 -5.843 1.00 0.00 C ATOM 195 O LYS A 11 1.473 7.847 -6.664 1.00 0.00 O ATOM 196 CB LYS A 11 -1.627 8.776 -6.345 1.00 0.00 C ATOM 197 CG LYS A 11 -2.549 7.621 -5.998 1.00 0.00 C ATOM 198 CD LYS A 11 -3.921 7.794 -6.627 1.00 0.00 C ATOM 199 CE LYS A 11 -4.735 8.858 -5.907 1.00 0.00 C ATOM 200 NZ LYS A 11 -5.494 8.293 -4.758 1.00 0.00 N ATOM 0 H LYS A 11 0.289 10.482 -6.600 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.649 8.735 -4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.176 9.712 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.334 8.694 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.106 6.686 -6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.651 7.548 -4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.809 8.068 -7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.457 6.845 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.070 9.645 -5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.429 9.321 -6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.036 9.050 -4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.147 7.560 -5.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.830 7.874 -4.076 1.00 0.00 H new ATOM 214 N LEU A 12 0.345 6.532 -5.229 1.00 0.00 N ATOM 215 CA LEU A 12 1.167 5.355 -5.490 1.00 0.00 C ATOM 216 C LEU A 12 0.305 4.101 -5.595 1.00 0.00 C ATOM 217 O LEU A 12 -0.251 3.632 -4.602 1.00 0.00 O ATOM 218 CB LEU A 12 2.208 5.181 -4.383 1.00 0.00 C ATOM 219 CG LEU A 12 3.415 4.308 -4.728 1.00 0.00 C ATOM 220 CD1 LEU A 12 4.254 4.963 -5.815 1.00 0.00 C ATOM 221 CD2 LEU A 12 4.257 4.047 -3.488 1.00 0.00 C ATOM 0 H LEU A 12 -0.399 6.384 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 12 1.678 5.502 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.569 6.168 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.713 4.754 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 12 3.051 3.352 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.109 4.328 -6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.648 5.098 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.608 5.933 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.111 3.424 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.611 4.995 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.653 3.535 -2.739 1.00 0.00 H new ATOM 233 N PHE A 13 0.201 3.561 -6.805 1.00 0.00 N ATOM 234 CA PHE A 13 -0.592 2.360 -7.040 1.00 0.00 C ATOM 235 C PHE A 13 0.252 1.104 -6.843 1.00 0.00 C ATOM 236 O PHE A 13 1.148 0.815 -7.635 1.00 0.00 O ATOM 237 CB PHE A 13 -1.177 2.379 -8.454 1.00 0.00 C ATOM 238 CG PHE A 13 -1.606 1.025 -8.943 1.00 0.00 C ATOM 239 CD1 PHE A 13 -0.695 0.171 -9.544 1.00 0.00 C ATOM 240 CD2 PHE A 13 -2.919 0.606 -8.801 1.00 0.00 C ATOM 241 CE1 PHE A 13 -1.087 -1.075 -9.996 1.00 0.00 C ATOM 242 CE2 PHE A 13 -3.317 -0.639 -9.250 1.00 0.00 C ATOM 243 CZ PHE A 13 -2.399 -1.481 -9.848 1.00 0.00 C ATOM 0 H PHE A 13 0.656 3.936 -7.637 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.407 2.345 -6.317 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.034 3.052 -8.475 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.435 2.786 -9.140 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.333 0.482 -9.660 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.640 1.260 -8.334 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.368 -1.731 -10.465 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.344 -0.953 -9.134 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.707 -2.455 -10.199 1.00 0.00 H new ATOM 253 N VAL A 14 -0.042 0.362 -5.781 1.00 0.00 N ATOM 254 CA VAL A 14 0.688 -0.863 -5.478 1.00 0.00 C ATOM 255 C VAL A 14 0.137 -2.042 -6.273 1.00 0.00 C ATOM 256 O VAL A 14 -1.049 -2.358 -6.191 1.00 0.00 O ATOM 257 CB VAL A 14 0.626 -1.197 -3.976 1.00 0.00 C ATOM 258 CG1 VAL A 14 1.534 -2.374 -3.653 1.00 0.00 C ATOM 259 CG2 VAL A 14 1.001 0.020 -3.144 1.00 0.00 C ATOM 0 H VAL A 14 -0.781 0.588 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 14 1.726 -0.691 -5.761 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.397 -1.479 -3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.477 -2.596 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.215 -3.247 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.562 -2.124 -3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.952 -0.234 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.014 0.334 -3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.306 0.833 -3.355 1.00 0.00 H new ATOM 269 N GLY A 15 1.007 -2.689 -7.042 1.00 0.00 N ATOM 270 CA GLY A 15 0.589 -3.826 -7.841 1.00 0.00 C ATOM 271 C GLY A 15 1.252 -5.117 -7.403 1.00 0.00 C ATOM 272 O GLY A 15 2.463 -5.280 -7.546 1.00 0.00 O ATOM 0 H GLY A 15 1.994 -2.446 -7.126 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.493 -3.936 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.825 -3.637 -8.888 1.00 0.00 H new ATOM 276 N GLY A 16 0.457 -6.038 -6.867 1.00 0.00 N ATOM 277 CA GLY A 16 0.993 -7.308 -6.414 1.00 0.00 C ATOM 278 C GLY A 16 0.786 -7.528 -4.928 1.00 0.00 C ATOM 279 O GLY A 16 1.697 -7.966 -4.225 1.00 0.00 O ATOM 0 H GLY A 16 -0.549 -5.927 -6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.518 -8.118 -6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.059 -7.350 -6.639 1.00 0.00 H new ATOM 283 N LEU A 17 -0.414 -7.222 -4.448 1.00 0.00 N ATOM 284 CA LEU A 17 -0.738 -7.387 -3.035 1.00 0.00 C ATOM 285 C LEU A 17 -1.119 -8.831 -2.729 1.00 0.00 C ATOM 286 O LEU A 17 -1.289 -9.645 -3.637 1.00 0.00 O ATOM 287 CB LEU A 17 -1.882 -6.451 -2.641 1.00 0.00 C ATOM 288 CG LEU A 17 -1.518 -4.973 -2.487 1.00 0.00 C ATOM 289 CD1 LEU A 17 -0.779 -4.739 -1.178 1.00 0.00 C ATOM 290 CD2 LEU A 17 -0.678 -4.506 -3.667 1.00 0.00 C ATOM 0 H LEU A 17 -1.179 -6.858 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 17 0.148 -7.133 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.668 -6.535 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.303 -6.801 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.439 -4.391 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.528 -3.682 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.414 -5.035 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.136 -5.331 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.428 -3.453 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.239 -5.093 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.243 -4.637 -4.590 1.00 0.00 H new ATOM 302 N ASP A 18 -1.254 -9.142 -1.444 1.00 0.00 N ATOM 303 CA ASP A 18 -1.619 -10.488 -1.018 1.00 0.00 C ATOM 304 C ASP A 18 -2.960 -10.483 -0.290 1.00 0.00 C ATOM 305 O ASP A 18 -3.227 -9.607 0.533 1.00 0.00 O ATOM 306 CB ASP A 18 -0.534 -11.070 -0.110 1.00 0.00 C ATOM 307 CG ASP A 18 -0.578 -12.585 -0.053 1.00 0.00 C ATOM 308 OD1 ASP A 18 -0.681 -13.216 -1.126 1.00 0.00 O ATOM 309 OD2 ASP A 18 -0.509 -13.138 1.064 1.00 0.00 O ATOM 0 H ASP A 18 -1.116 -8.480 -0.680 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.711 -11.112 -1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.445 -10.751 -0.468 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.652 -10.668 0.896 1.00 0.00 H new ATOM 314 N TRP A 19 -3.799 -11.465 -0.599 1.00 0.00 N ATOM 315 CA TRP A 19 -5.113 -11.572 0.025 1.00 0.00 C ATOM 316 C TRP A 19 -5.027 -11.302 1.523 1.00 0.00 C ATOM 317 O TRP A 19 -6.014 -10.920 2.151 1.00 0.00 O ATOM 318 CB TRP A 19 -5.706 -12.960 -0.223 1.00 0.00 C ATOM 319 CG TRP A 19 -5.001 -14.050 0.527 1.00 0.00 C ATOM 320 CD1 TRP A 19 -4.109 -14.950 0.019 1.00 0.00 C ATOM 321 CD2 TRP A 19 -5.132 -14.354 1.920 1.00 0.00 C ATOM 322 NE1 TRP A 19 -3.678 -15.796 1.012 1.00 0.00 N ATOM 323 CE2 TRP A 19 -4.290 -15.451 2.188 1.00 0.00 C ATOM 324 CE3 TRP A 19 -5.878 -13.806 2.967 1.00 0.00 C ATOM 325 CZ2 TRP A 19 -4.175 -16.008 3.459 1.00 0.00 C ATOM 326 CZ3 TRP A 19 -5.763 -14.360 4.228 1.00 0.00 C ATOM 327 CH2 TRP A 19 -4.916 -15.451 4.465 1.00 0.00 C ATOM 0 H TRP A 19 -3.593 -12.198 -1.277 1.00 0.00 H new ATOM 0 HA TRP A 19 -5.764 -10.821 -0.424 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.758 -12.954 0.062 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.666 -13.179 -1.290 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -3.789 -14.991 -1.012 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -3.010 -16.558 0.893 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.533 -12.965 2.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.524 -16.850 3.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -6.336 -13.945 5.044 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -4.847 -15.860 5.462 1.00 0.00 H new ATOM 338 N SER A 20 -3.842 -11.504 2.090 1.00 0.00 N ATOM 339 CA SER A 20 -3.629 -11.286 3.516 1.00 0.00 C ATOM 340 C SER A 20 -3.330 -9.817 3.802 1.00 0.00 C ATOM 341 O SER A 20 -3.894 -9.224 4.722 1.00 0.00 O ATOM 342 CB SER A 20 -2.480 -12.160 4.021 1.00 0.00 C ATOM 343 OG SER A 20 -2.329 -12.041 5.425 1.00 0.00 O ATOM 0 H SER A 20 -3.014 -11.818 1.583 1.00 0.00 H new ATOM 0 HA SER A 20 -4.543 -11.562 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.668 -13.201 3.759 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.553 -11.870 3.526 1.00 0.00 H new ATOM 0 HG SER A 20 -1.589 -12.610 5.724 1.00 0.00 H new ATOM 349 N THR A 21 -2.439 -9.235 3.006 1.00 0.00 N ATOM 350 CA THR A 21 -2.063 -7.837 3.172 1.00 0.00 C ATOM 351 C THR A 21 -3.245 -7.003 3.651 1.00 0.00 C ATOM 352 O THR A 21 -4.386 -7.237 3.250 1.00 0.00 O ATOM 353 CB THR A 21 -1.525 -7.239 1.859 1.00 0.00 C ATOM 354 OG1 THR A 21 -0.473 -8.061 1.341 1.00 0.00 O ATOM 355 CG2 THR A 21 -1.009 -5.825 2.079 1.00 0.00 C ATOM 0 H THR A 21 -1.964 -9.711 2.239 1.00 0.00 H new ATOM 0 HA THR A 21 -1.274 -7.810 3.924 1.00 0.00 H new ATOM 0 HB THR A 21 -2.344 -7.202 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.069 -7.541 0.711 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.634 -5.424 1.137 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.820 -5.195 2.445 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.203 -5.842 2.813 1.00 0.00 H new ATOM 363 N THR A 22 -2.967 -6.027 4.510 1.00 0.00 N ATOM 364 CA THR A 22 -4.008 -5.158 5.043 1.00 0.00 C ATOM 365 C THR A 22 -3.586 -3.694 4.984 1.00 0.00 C ATOM 366 O THR A 22 -2.427 -3.363 5.234 1.00 0.00 O ATOM 367 CB THR A 22 -4.353 -5.523 6.499 1.00 0.00 C ATOM 368 OG1 THR A 22 -3.160 -5.565 7.289 1.00 0.00 O ATOM 369 CG2 THR A 22 -5.061 -6.868 6.567 1.00 0.00 C ATOM 0 H THR A 22 -2.029 -5.819 4.851 1.00 0.00 H new ATOM 0 HA THR A 22 -4.891 -5.304 4.421 1.00 0.00 H new ATOM 0 HB THR A 22 -5.022 -4.758 6.893 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.388 -5.796 8.214 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.294 -7.104 7.605 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.984 -6.823 5.989 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.413 -7.642 6.156 1.00 0.00 H new ATOM 377 N GLN A 23 -4.533 -2.823 4.652 1.00 0.00 N ATOM 378 CA GLN A 23 -4.258 -1.394 4.561 1.00 0.00 C ATOM 379 C GLN A 23 -3.412 -0.926 5.741 1.00 0.00 C ATOM 380 O GLN A 23 -2.491 -0.127 5.578 1.00 0.00 O ATOM 381 CB GLN A 23 -5.566 -0.603 4.510 1.00 0.00 C ATOM 382 CG GLN A 23 -6.373 -0.843 3.244 1.00 0.00 C ATOM 383 CD GLN A 23 -7.867 -0.720 3.472 1.00 0.00 C ATOM 384 OE1 GLN A 23 -8.399 -1.225 4.461 1.00 0.00 O ATOM 385 NE2 GLN A 23 -8.552 -0.046 2.556 1.00 0.00 N ATOM 0 H GLN A 23 -5.497 -3.082 4.442 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.698 -1.215 3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.175 -0.867 5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.341 0.460 4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.066 -0.128 2.481 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.149 -1.837 2.858 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.070 0.356 1.752 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.560 0.070 2.656 1.00 0.00 H new ATOM 394 N GLU A 24 -3.734 -1.429 6.929 1.00 0.00 N ATOM 395 CA GLU A 24 -3.004 -1.060 8.137 1.00 0.00 C ATOM 396 C GLU A 24 -1.501 -1.234 7.938 1.00 0.00 C ATOM 397 O GLU A 24 -0.743 -0.263 7.958 1.00 0.00 O ATOM 398 CB GLU A 24 -3.474 -1.906 9.322 1.00 0.00 C ATOM 399 CG GLU A 24 -4.705 -1.349 10.017 1.00 0.00 C ATOM 400 CD GLU A 24 -4.785 -1.754 11.476 1.00 0.00 C ATOM 401 OE1 GLU A 24 -4.010 -1.206 12.287 1.00 0.00 O ATOM 402 OE2 GLU A 24 -5.624 -2.618 11.806 1.00 0.00 O ATOM 0 H GLU A 24 -4.494 -2.092 7.081 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.206 -0.010 8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.690 -2.916 8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.663 -1.985 10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.697 -0.261 9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.599 -1.696 9.498 1.00 0.00 H new ATOM 409 N THR A 25 -1.075 -2.479 7.747 1.00 0.00 N ATOM 410 CA THR A 25 0.336 -2.782 7.547 1.00 0.00 C ATOM 411 C THR A 25 0.880 -2.078 6.309 1.00 0.00 C ATOM 412 O THR A 25 1.996 -1.556 6.318 1.00 0.00 O ATOM 413 CB THR A 25 0.571 -4.298 7.406 1.00 0.00 C ATOM 414 OG1 THR A 25 0.104 -4.977 8.577 1.00 0.00 O ATOM 415 CG2 THR A 25 2.047 -4.599 7.194 1.00 0.00 C ATOM 0 H THR A 25 -1.688 -3.294 7.727 1.00 0.00 H new ATOM 0 HA THR A 25 0.864 -2.420 8.429 1.00 0.00 H new ATOM 0 HB THR A 25 0.016 -4.650 6.537 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.255 -5.940 8.479 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.189 -5.675 7.097 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.392 -4.104 6.286 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.619 -4.233 8.047 1.00 0.00 H new ATOM 423 N LEU A 26 0.085 -2.065 5.245 1.00 0.00 N ATOM 424 CA LEU A 26 0.486 -1.423 3.998 1.00 0.00 C ATOM 425 C LEU A 26 0.859 0.037 4.233 1.00 0.00 C ATOM 426 O LEU A 26 1.818 0.544 3.650 1.00 0.00 O ATOM 427 CB LEU A 26 -0.642 -1.513 2.969 1.00 0.00 C ATOM 428 CG LEU A 26 -0.262 -1.183 1.525 1.00 0.00 C ATOM 429 CD1 LEU A 26 0.645 -2.261 0.952 1.00 0.00 C ATOM 430 CD2 LEU A 26 -1.510 -1.022 0.669 1.00 0.00 C ATOM 0 H LEU A 26 -0.841 -2.492 5.221 1.00 0.00 H new ATOM 0 HA LEU A 26 1.362 -1.946 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.050 -2.524 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.441 -0.839 3.276 1.00 0.00 H new ATOM 0 HG LEU A 26 0.282 -0.239 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.905 -2.009 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.554 -2.328 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.127 -3.220 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.221 -0.787 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.082 -1.950 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.123 -0.213 1.067 1.00 0.00 H new ATOM 442 N ARG A 27 0.098 0.707 5.092 1.00 0.00 N ATOM 443 CA ARG A 27 0.350 2.108 5.405 1.00 0.00 C ATOM 444 C ARG A 27 1.789 2.312 5.868 1.00 0.00 C ATOM 445 O ARG A 27 2.593 2.936 5.176 1.00 0.00 O ATOM 446 CB ARG A 27 -0.619 2.594 6.485 1.00 0.00 C ATOM 447 CG ARG A 27 -2.028 2.842 5.972 1.00 0.00 C ATOM 448 CD ARG A 27 -3.053 2.748 7.091 1.00 0.00 C ATOM 449 NE ARG A 27 -3.021 3.919 7.963 1.00 0.00 N ATOM 450 CZ ARG A 27 -3.722 4.018 9.087 1.00 0.00 C ATOM 451 NH1 ARG A 27 -4.504 3.020 9.474 1.00 0.00 N ATOM 452 NH2 ARG A 27 -3.640 5.117 9.826 1.00 0.00 N ATOM 0 H ARG A 27 -0.698 0.302 5.584 1.00 0.00 H new ATOM 0 HA ARG A 27 0.193 2.691 4.497 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.658 1.855 7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.232 3.516 6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.080 3.828 5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.267 2.115 5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.049 2.643 6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.864 1.851 7.681 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.428 4.704 7.694 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.568 2.174 8.908 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.041 3.098 10.337 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.039 5.886 9.531 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.178 5.193 10.689 1.00 0.00 H new ATOM 466 N SER A 28 2.107 1.781 7.045 1.00 0.00 N ATOM 467 CA SER A 28 3.448 1.907 7.603 1.00 0.00 C ATOM 468 C SER A 28 4.505 1.521 6.573 1.00 0.00 C ATOM 469 O SER A 28 5.389 2.314 6.247 1.00 0.00 O ATOM 470 CB SER A 28 3.590 1.030 8.849 1.00 0.00 C ATOM 471 OG SER A 28 3.181 1.728 10.013 1.00 0.00 O ATOM 0 H SER A 28 1.454 1.260 7.630 1.00 0.00 H new ATOM 0 HA SER A 28 3.601 2.950 7.881 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.990 0.127 8.733 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.627 0.712 8.957 1.00 0.00 H new ATOM 0 HG SER A 28 3.280 1.146 10.795 1.00 0.00 H new ATOM 477 N TYR A 29 4.406 0.299 6.064 1.00 0.00 N ATOM 478 CA TYR A 29 5.354 -0.195 5.072 1.00 0.00 C ATOM 479 C TYR A 29 5.764 0.916 4.110 1.00 0.00 C ATOM 480 O TYR A 29 6.931 1.027 3.733 1.00 0.00 O ATOM 481 CB TYR A 29 4.746 -1.362 4.291 1.00 0.00 C ATOM 482 CG TYR A 29 5.714 -2.019 3.334 1.00 0.00 C ATOM 483 CD1 TYR A 29 6.588 -3.008 3.768 1.00 0.00 C ATOM 484 CD2 TYR A 29 5.754 -1.652 1.994 1.00 0.00 C ATOM 485 CE1 TYR A 29 7.474 -3.611 2.897 1.00 0.00 C ATOM 486 CE2 TYR A 29 6.636 -2.251 1.115 1.00 0.00 C ATOM 487 CZ TYR A 29 7.495 -3.229 1.572 1.00 0.00 C ATOM 488 OH TYR A 29 8.375 -3.828 0.700 1.00 0.00 O ATOM 0 H TYR A 29 3.679 -0.368 6.322 1.00 0.00 H new ATOM 0 HA TYR A 29 6.243 -0.542 5.598 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.381 -2.109 4.996 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.882 -1.003 3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.574 -3.311 4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.084 -0.885 1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.147 -4.378 3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.653 -1.955 0.076 1.00 0.00 H new ATOM 0 HH TYR A 29 8.611 -4.719 1.033 1.00 0.00 H new ATOM 498 N PHE A 30 4.796 1.737 3.717 1.00 0.00 N ATOM 499 CA PHE A 30 5.055 2.840 2.799 1.00 0.00 C ATOM 500 C PHE A 30 5.380 4.120 3.565 1.00 0.00 C ATOM 501 O PHE A 30 6.090 4.992 3.064 1.00 0.00 O ATOM 502 CB PHE A 30 3.845 3.070 1.891 1.00 0.00 C ATOM 503 CG PHE A 30 3.844 2.204 0.664 1.00 0.00 C ATOM 504 CD1 PHE A 30 4.678 2.492 -0.404 1.00 0.00 C ATOM 505 CD2 PHE A 30 3.008 1.102 0.579 1.00 0.00 C ATOM 506 CE1 PHE A 30 4.679 1.696 -1.535 1.00 0.00 C ATOM 507 CE2 PHE A 30 3.006 0.303 -0.549 1.00 0.00 C ATOM 508 CZ PHE A 30 3.841 0.601 -1.608 1.00 0.00 C ATOM 0 H PHE A 30 3.825 1.659 4.020 1.00 0.00 H new ATOM 0 HA PHE A 30 5.916 2.575 2.186 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.934 2.883 2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.822 4.117 1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.335 3.348 -0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.351 0.865 1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.335 1.931 -2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.351 -0.554 -0.602 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.839 -0.021 -2.491 1.00 0.00 H new ATOM 518 N SER A 31 4.856 4.224 4.782 1.00 0.00 N ATOM 519 CA SER A 31 5.087 5.398 5.615 1.00 0.00 C ATOM 520 C SER A 31 6.578 5.608 5.857 1.00 0.00 C ATOM 521 O SER A 31 7.056 6.741 5.901 1.00 0.00 O ATOM 522 CB SER A 31 4.358 5.251 6.952 1.00 0.00 C ATOM 523 OG SER A 31 3.027 4.802 6.761 1.00 0.00 O ATOM 0 H SER A 31 4.269 3.510 5.213 1.00 0.00 H new ATOM 0 HA SER A 31 4.696 6.269 5.089 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.895 4.546 7.587 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.351 6.208 7.473 1.00 0.00 H new ATOM 0 HG SER A 31 2.950 4.371 5.884 1.00 0.00 H new ATOM 529 N GLN A 32 7.307 4.507 6.012 1.00 0.00 N ATOM 530 CA GLN A 32 8.744 4.571 6.249 1.00 0.00 C ATOM 531 C GLN A 32 9.436 5.415 5.184 1.00 0.00 C ATOM 532 O GLN A 32 10.482 6.014 5.435 1.00 0.00 O ATOM 533 CB GLN A 32 9.342 3.163 6.268 1.00 0.00 C ATOM 534 CG GLN A 32 8.671 2.204 5.297 1.00 0.00 C ATOM 535 CD GLN A 32 9.591 1.083 4.855 1.00 0.00 C ATOM 536 OE1 GLN A 32 10.765 1.307 4.559 1.00 0.00 O ATOM 537 NE2 GLN A 32 9.061 -0.134 4.809 1.00 0.00 N ATOM 0 H GLN A 32 6.926 3.561 5.978 1.00 0.00 H new ATOM 0 HA GLN A 32 8.905 5.041 7.219 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.404 3.225 6.029 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.265 2.758 7.277 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.785 1.778 5.767 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.332 2.758 4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.083 -0.274 5.063 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.632 -0.928 4.520 1.00 0.00 H new ATOM 546 N TYR A 33 8.845 5.458 3.995 1.00 0.00 N ATOM 547 CA TYR A 33 9.406 6.227 2.890 1.00 0.00 C ATOM 548 C TYR A 33 8.849 7.648 2.878 1.00 0.00 C ATOM 549 O TYR A 33 9.599 8.620 2.803 1.00 0.00 O ATOM 550 CB TYR A 33 9.106 5.539 1.558 1.00 0.00 C ATOM 551 CG TYR A 33 9.716 4.160 1.438 1.00 0.00 C ATOM 552 CD1 TYR A 33 9.018 3.032 1.853 1.00 0.00 C ATOM 553 CD2 TYR A 33 10.990 3.986 0.912 1.00 0.00 C ATOM 554 CE1 TYR A 33 9.572 1.771 1.747 1.00 0.00 C ATOM 555 CE2 TYR A 33 11.550 2.728 0.800 1.00 0.00 C ATOM 556 CZ TYR A 33 10.838 1.624 1.219 1.00 0.00 C ATOM 557 OH TYR A 33 11.393 0.370 1.111 1.00 0.00 O ATOM 0 H TYR A 33 7.978 4.970 3.772 1.00 0.00 H new ATOM 0 HA TYR A 33 10.486 6.280 3.029 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.026 5.461 1.434 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.476 6.163 0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.026 3.143 2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.552 4.848 0.585 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.017 0.905 2.076 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.541 2.610 0.386 1.00 0.00 H new ATOM 0 HH TYR A 33 12.288 0.441 0.718 1.00 0.00 H new ATOM 567 N GLY A 34 7.526 7.759 2.953 1.00 0.00 N ATOM 568 CA GLY A 34 6.890 9.063 2.949 1.00 0.00 C ATOM 569 C GLY A 34 5.621 9.092 3.779 1.00 0.00 C ATOM 570 O GLY A 34 4.915 8.089 3.878 1.00 0.00 O ATOM 0 H GLY A 34 6.884 6.969 3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.589 9.806 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.656 9.347 1.923 1.00 0.00 H new ATOM 574 N GLU A 35 5.333 10.243 4.377 1.00 0.00 N ATOM 575 CA GLU A 35 4.142 10.396 5.204 1.00 0.00 C ATOM 576 C GLU A 35 2.895 9.940 4.452 1.00 0.00 C ATOM 577 O GLU A 35 2.423 10.619 3.540 1.00 0.00 O ATOM 578 CB GLU A 35 3.982 11.854 5.642 1.00 0.00 C ATOM 579 CG GLU A 35 2.602 12.176 6.191 1.00 0.00 C ATOM 580 CD GLU A 35 2.632 13.277 7.234 1.00 0.00 C ATOM 581 OE1 GLU A 35 3.518 14.153 7.148 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.768 13.263 8.135 1.00 0.00 O ATOM 0 H GLU A 35 5.907 11.083 4.305 1.00 0.00 H new ATOM 0 HA GLU A 35 4.262 9.769 6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.729 12.080 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.187 12.505 4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.949 12.475 5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.171 11.276 6.630 1.00 0.00 H new ATOM 589 N VAL A 36 2.365 8.785 4.842 1.00 0.00 N ATOM 590 CA VAL A 36 1.173 8.237 4.206 1.00 0.00 C ATOM 591 C VAL A 36 -0.073 9.017 4.611 1.00 0.00 C ATOM 592 O VAL A 36 -0.481 8.996 5.772 1.00 0.00 O ATOM 593 CB VAL A 36 0.976 6.753 4.567 1.00 0.00 C ATOM 594 CG1 VAL A 36 -0.391 6.269 4.110 1.00 0.00 C ATOM 595 CG2 VAL A 36 2.082 5.905 3.956 1.00 0.00 C ATOM 0 H VAL A 36 2.743 8.211 5.596 1.00 0.00 H new ATOM 0 HA VAL A 36 1.320 8.325 3.129 1.00 0.00 H new ATOM 0 HB VAL A 36 1.027 6.651 5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.512 5.218 4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.167 6.857 4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.475 6.384 3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.927 4.859 4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.064 6.011 2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.048 6.237 4.337 1.00 0.00 H new ATOM 605 N VAL A 37 -0.674 9.704 3.645 1.00 0.00 N ATOM 606 CA VAL A 37 -1.876 10.490 3.900 1.00 0.00 C ATOM 607 C VAL A 37 -3.119 9.607 3.908 1.00 0.00 C ATOM 608 O VAL A 37 -4.011 9.779 4.738 1.00 0.00 O ATOM 609 CB VAL A 37 -2.055 11.600 2.847 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.978 12.689 3.371 1.00 0.00 C ATOM 611 CG2 VAL A 37 -0.705 12.179 2.450 1.00 0.00 C ATOM 0 H VAL A 37 -0.349 9.732 2.679 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.752 10.947 4.882 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.514 11.165 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.093 13.464 2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.953 12.260 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.551 13.124 4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.850 12.962 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.217 12.600 3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.080 11.391 2.031 1.00 0.00 H new ATOM 621 N ASP A 38 -3.170 8.660 2.977 1.00 0.00 N ATOM 622 CA ASP A 38 -4.304 7.747 2.877 1.00 0.00 C ATOM 623 C ASP A 38 -3.904 6.461 2.161 1.00 0.00 C ATOM 624 O ASP A 38 -3.314 6.498 1.081 1.00 0.00 O ATOM 625 CB ASP A 38 -5.462 8.418 2.137 1.00 0.00 C ATOM 626 CG ASP A 38 -6.813 7.879 2.565 1.00 0.00 C ATOM 627 OD1 ASP A 38 -7.225 8.156 3.711 1.00 0.00 O ATOM 628 OD2 ASP A 38 -7.456 7.179 1.756 1.00 0.00 O ATOM 0 H ASP A 38 -2.440 8.504 2.281 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.626 7.494 3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.430 9.493 2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.338 8.270 1.064 1.00 0.00 H new ATOM 633 N CYS A 39 -4.228 5.326 2.770 1.00 0.00 N ATOM 634 CA CYS A 39 -3.901 4.027 2.192 1.00 0.00 C ATOM 635 C CYS A 39 -5.167 3.266 1.814 1.00 0.00 C ATOM 636 O CYS A 39 -6.156 3.282 2.547 1.00 0.00 O ATOM 637 CB CYS A 39 -3.070 3.203 3.176 1.00 0.00 C ATOM 638 SG CYS A 39 -2.887 1.465 2.712 1.00 0.00 S ATOM 0 H CYS A 39 -4.717 5.279 3.664 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.317 4.196 1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.080 3.651 3.263 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.533 3.258 4.161 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.743 0.743 3.783 1.00 0.00 H new ATOM 644 N VAL A 40 -5.130 2.600 0.664 1.00 0.00 N ATOM 645 CA VAL A 40 -6.275 1.833 0.188 1.00 0.00 C ATOM 646 C VAL A 40 -5.833 0.505 -0.417 1.00 0.00 C ATOM 647 O VAL A 40 -4.760 0.409 -1.013 1.00 0.00 O ATOM 648 CB VAL A 40 -7.080 2.620 -0.862 1.00 0.00 C ATOM 649 CG1 VAL A 40 -8.444 1.982 -1.078 1.00 0.00 C ATOM 650 CG2 VAL A 40 -7.224 4.075 -0.442 1.00 0.00 C ATOM 0 H VAL A 40 -4.320 2.576 0.045 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.910 1.642 1.053 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.538 2.590 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.998 2.552 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.315 0.957 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.997 1.979 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.796 4.616 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.744 4.128 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.236 4.525 -0.344 1.00 0.00 H new ATOM 660 N ILE A 41 -6.667 -0.517 -0.260 1.00 0.00 N ATOM 661 CA ILE A 41 -6.363 -1.840 -0.792 1.00 0.00 C ATOM 662 C ILE A 41 -7.589 -2.461 -1.454 1.00 0.00 C ATOM 663 O ILE A 41 -8.510 -2.915 -0.776 1.00 0.00 O ATOM 664 CB ILE A 41 -5.854 -2.787 0.311 1.00 0.00 C ATOM 665 CG1 ILE A 41 -4.479 -2.334 0.807 1.00 0.00 C ATOM 666 CG2 ILE A 41 -5.792 -4.216 -0.206 1.00 0.00 C ATOM 667 CD1 ILE A 41 -3.845 -3.294 1.789 1.00 0.00 C ATOM 0 H ILE A 41 -7.559 -0.455 0.231 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.578 -1.708 -1.537 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.551 -2.754 1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.815 -2.211 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.576 -1.356 1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.431 -4.874 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.787 -4.534 -0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.114 -4.266 -1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.873 -2.909 2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.488 -3.398 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.716 -4.267 1.315 1.00 0.00 H new ATOM 679 N MET A 42 -7.591 -2.479 -2.783 1.00 0.00 N ATOM 680 CA MET A 42 -8.703 -3.047 -3.537 1.00 0.00 C ATOM 681 C MET A 42 -8.983 -4.480 -3.094 1.00 0.00 C ATOM 682 O MET A 42 -8.064 -5.230 -2.765 1.00 0.00 O ATOM 683 CB MET A 42 -8.399 -3.014 -5.036 1.00 0.00 C ATOM 684 CG MET A 42 -8.104 -1.620 -5.566 1.00 0.00 C ATOM 685 SD MET A 42 -9.594 -0.739 -6.070 1.00 0.00 S ATOM 686 CE MET A 42 -9.921 0.239 -4.606 1.00 0.00 C ATOM 0 H MET A 42 -6.836 -2.107 -3.360 1.00 0.00 H new ATOM 0 HA MET A 42 -9.590 -2.445 -3.340 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.544 -3.659 -5.239 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.248 -3.428 -5.580 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.589 -1.045 -4.797 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.426 -1.695 -6.416 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.432 1.159 -4.890 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.551 -0.330 -3.922 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.980 0.484 -4.114 1.00 0.00 H new ATOM 696 N LYS A 43 -10.258 -4.853 -3.088 1.00 0.00 N ATOM 697 CA LYS A 43 -10.660 -6.196 -2.687 1.00 0.00 C ATOM 698 C LYS A 43 -11.716 -6.754 -3.636 1.00 0.00 C ATOM 699 O LYS A 43 -12.082 -6.111 -4.620 1.00 0.00 O ATOM 700 CB LYS A 43 -11.202 -6.183 -1.256 1.00 0.00 C ATOM 701 CG LYS A 43 -10.128 -6.368 -0.197 1.00 0.00 C ATOM 702 CD LYS A 43 -10.523 -5.716 1.117 1.00 0.00 C ATOM 703 CE LYS A 43 -9.306 -5.421 1.981 1.00 0.00 C ATOM 704 NZ LYS A 43 -9.684 -4.799 3.279 1.00 0.00 N ATOM 0 H LYS A 43 -11.031 -4.244 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.781 -6.839 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.716 -5.238 -1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.945 -6.974 -1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.952 -7.432 -0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.190 -5.939 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.062 -4.790 0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.205 -6.371 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.760 -6.346 2.167 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.631 -4.756 1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.827 -4.614 3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.183 -3.903 3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.307 -5.444 3.805 1.00 0.00 H new ATOM 718 N ASP A 44 -12.203 -7.952 -3.333 1.00 0.00 N ATOM 719 CA ASP A 44 -13.220 -8.595 -4.158 1.00 0.00 C ATOM 720 C ASP A 44 -14.619 -8.158 -3.736 1.00 0.00 C ATOM 721 O ASP A 44 -14.793 -7.508 -2.705 1.00 0.00 O ATOM 722 CB ASP A 44 -13.097 -10.117 -4.062 1.00 0.00 C ATOM 723 CG ASP A 44 -14.069 -10.835 -4.978 1.00 0.00 C ATOM 724 OD1 ASP A 44 -15.226 -11.053 -4.561 1.00 0.00 O ATOM 725 OD2 ASP A 44 -13.673 -11.178 -6.111 1.00 0.00 O ATOM 0 H ASP A 44 -11.910 -8.498 -2.523 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.060 -8.289 -5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.079 -10.413 -4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.274 -10.429 -3.033 1.00 0.00 H new ATOM 730 N LYS A 45 -15.613 -8.517 -4.540 1.00 0.00 N ATOM 731 CA LYS A 45 -16.998 -8.162 -4.252 1.00 0.00 C ATOM 732 C LYS A 45 -17.582 -9.079 -3.181 1.00 0.00 C ATOM 733 O LYS A 45 -18.061 -8.615 -2.146 1.00 0.00 O ATOM 734 CB LYS A 45 -17.843 -8.244 -5.525 1.00 0.00 C ATOM 735 CG LYS A 45 -19.288 -7.822 -5.324 1.00 0.00 C ATOM 736 CD LYS A 45 -19.923 -7.367 -6.627 1.00 0.00 C ATOM 737 CE LYS A 45 -19.573 -5.921 -6.943 1.00 0.00 C ATOM 738 NZ LYS A 45 -20.440 -4.966 -6.200 1.00 0.00 N ATOM 0 H LYS A 45 -15.486 -9.054 -5.398 1.00 0.00 H new ATOM 0 HA LYS A 45 -17.015 -7.138 -3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.392 -7.613 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.821 -9.267 -5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.857 -8.655 -4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.334 -7.014 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.587 -8.010 -7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.006 -7.475 -6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.529 -5.736 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.677 -5.748 -8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.170 -3.991 -6.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -21.434 -5.125 -6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.322 -5.114 -5.177 1.00 0.00 H new ATOM 752 N THR A 46 -17.539 -10.383 -3.437 1.00 0.00 N ATOM 753 CA THR A 46 -18.064 -11.364 -2.496 1.00 0.00 C ATOM 754 C THR A 46 -16.986 -11.820 -1.519 1.00 0.00 C ATOM 755 O THR A 46 -17.206 -11.858 -0.308 1.00 0.00 O ATOM 756 CB THR A 46 -18.633 -12.595 -3.226 1.00 0.00 C ATOM 757 OG1 THR A 46 -19.617 -12.185 -4.182 1.00 0.00 O ATOM 758 CG2 THR A 46 -19.253 -13.571 -2.238 1.00 0.00 C ATOM 0 H THR A 46 -17.146 -10.784 -4.289 1.00 0.00 H new ATOM 0 HA THR A 46 -18.867 -10.875 -1.945 1.00 0.00 H new ATOM 0 HB THR A 46 -17.814 -13.096 -3.741 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.973 -12.973 -4.643 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.648 -14.432 -2.777 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.494 -13.903 -1.530 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.062 -13.078 -1.699 1.00 0.00 H new ATOM 766 N THR A 47 -15.818 -12.165 -2.052 1.00 0.00 N ATOM 767 CA THR A 47 -14.706 -12.620 -1.227 1.00 0.00 C ATOM 768 C THR A 47 -14.152 -11.482 -0.376 1.00 0.00 C ATOM 769 O THR A 47 -13.565 -11.714 0.680 1.00 0.00 O ATOM 770 CB THR A 47 -13.569 -13.202 -2.088 1.00 0.00 C ATOM 771 OG1 THR A 47 -14.111 -13.825 -3.258 1.00 0.00 O ATOM 772 CG2 THR A 47 -12.756 -14.215 -1.297 1.00 0.00 C ATOM 0 H THR A 47 -15.618 -12.138 -3.052 1.00 0.00 H new ATOM 0 HA THR A 47 -15.095 -13.402 -0.575 1.00 0.00 H new ATOM 0 HB THR A 47 -12.911 -12.385 -2.384 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.382 -14.191 -3.801 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.959 -14.612 -1.926 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.321 -13.730 -0.423 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.404 -15.030 -0.975 1.00 0.00 H new ATOM 780 N ASN A 48 -14.344 -10.253 -0.843 1.00 0.00 N ATOM 781 CA ASN A 48 -13.863 -9.079 -0.124 1.00 0.00 C ATOM 782 C ASN A 48 -12.427 -9.281 0.350 1.00 0.00 C ATOM 783 O ASN A 48 -12.061 -8.859 1.447 1.00 0.00 O ATOM 784 CB ASN A 48 -14.770 -8.781 1.072 1.00 0.00 C ATOM 785 CG ASN A 48 -14.825 -9.933 2.057 1.00 0.00 C ATOM 786 OD1 ASN A 48 -15.575 -10.890 1.868 1.00 0.00 O ATOM 787 ND2 ASN A 48 -14.028 -9.844 3.116 1.00 0.00 N ATOM 0 H ASN A 48 -14.829 -10.044 -1.716 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.884 -8.231 -0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.412 -7.887 1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.777 -8.563 0.716 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.022 -10.588 3.813 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.422 -9.031 3.232 1.00 0.00 H new ATOM 794 N GLN A 49 -11.620 -9.929 -0.483 1.00 0.00 N ATOM 795 CA GLN A 49 -10.225 -10.188 -0.149 1.00 0.00 C ATOM 796 C GLN A 49 -9.291 -9.461 -1.111 1.00 0.00 C ATOM 797 O GLN A 49 -9.494 -9.484 -2.325 1.00 0.00 O ATOM 798 CB GLN A 49 -9.941 -11.691 -0.181 1.00 0.00 C ATOM 799 CG GLN A 49 -10.500 -12.441 1.017 1.00 0.00 C ATOM 800 CD GLN A 49 -9.703 -13.687 1.349 1.00 0.00 C ATOM 801 OE1 GLN A 49 -9.738 -14.675 0.615 1.00 0.00 O ATOM 802 NE2 GLN A 49 -8.977 -13.647 2.460 1.00 0.00 N ATOM 0 H GLN A 49 -11.908 -10.284 -1.395 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.043 -9.813 0.858 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.364 -12.113 -1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.863 -11.848 -0.227 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.510 -11.779 1.883 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.535 -12.719 0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.977 -12.807 3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.419 -14.456 2.734 1.00 0.00 H new ATOM 811 N SER A 50 -8.267 -8.816 -0.560 1.00 0.00 N ATOM 812 CA SER A 50 -7.304 -8.079 -1.369 1.00 0.00 C ATOM 813 C SER A 50 -6.945 -8.858 -2.631 1.00 0.00 C ATOM 814 O SER A 50 -6.204 -9.840 -2.578 1.00 0.00 O ATOM 815 CB SER A 50 -6.040 -7.790 -0.558 1.00 0.00 C ATOM 816 OG SER A 50 -6.331 -6.984 0.571 1.00 0.00 O ATOM 0 H SER A 50 -8.083 -8.789 0.443 1.00 0.00 H new ATOM 0 HA SER A 50 -7.762 -7.135 -1.664 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.591 -8.728 -0.233 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.307 -7.287 -1.188 1.00 0.00 H new ATOM 0 HG SER A 50 -5.689 -7.178 1.285 1.00 0.00 H new ATOM 822 N ARG A 51 -7.476 -8.412 -3.765 1.00 0.00 N ATOM 823 CA ARG A 51 -7.213 -9.067 -5.041 1.00 0.00 C ATOM 824 C ARG A 51 -5.715 -9.121 -5.326 1.00 0.00 C ATOM 825 O ARG A 51 -5.179 -10.168 -5.688 1.00 0.00 O ATOM 826 CB ARG A 51 -7.932 -8.332 -6.173 1.00 0.00 C ATOM 827 CG ARG A 51 -9.374 -8.772 -6.366 1.00 0.00 C ATOM 828 CD ARG A 51 -10.236 -7.639 -6.900 1.00 0.00 C ATOM 829 NE ARG A 51 -11.361 -8.132 -7.689 1.00 0.00 N ATOM 830 CZ ARG A 51 -12.030 -7.386 -8.562 1.00 0.00 C ATOM 831 NH1 ARG A 51 -11.689 -6.120 -8.756 1.00 0.00 N ATOM 832 NH2 ARG A 51 -13.043 -7.907 -9.242 1.00 0.00 N ATOM 0 H ARG A 51 -8.091 -7.600 -3.826 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.591 -10.088 -4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.912 -7.261 -5.970 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.385 -8.490 -7.103 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.409 -9.614 -7.057 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.779 -9.122 -5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.611 -7.045 -6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.625 -6.977 -7.514 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.649 -9.102 -7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.911 -5.716 -8.235 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.204 -5.550 -9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.309 -8.881 -9.095 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.556 -7.334 -9.912 1.00 0.00 H new ATOM 846 N GLY A 52 -5.044 -7.985 -5.159 1.00 0.00 N ATOM 847 CA GLY A 52 -3.615 -7.925 -5.403 1.00 0.00 C ATOM 848 C GLY A 52 -3.168 -6.563 -5.895 1.00 0.00 C ATOM 849 O GLY A 52 -2.266 -6.460 -6.726 1.00 0.00 O ATOM 0 H GLY A 52 -5.465 -7.106 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.082 -8.169 -4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.343 -8.681 -6.139 1.00 0.00 H new ATOM 853 N PHE A 53 -3.801 -5.513 -5.381 1.00 0.00 N ATOM 854 CA PHE A 53 -3.465 -4.150 -5.775 1.00 0.00 C ATOM 855 C PHE A 53 -4.201 -3.135 -4.905 1.00 0.00 C ATOM 856 O PHE A 53 -5.237 -3.442 -4.316 1.00 0.00 O ATOM 857 CB PHE A 53 -3.811 -3.922 -7.248 1.00 0.00 C ATOM 858 CG PHE A 53 -5.255 -4.180 -7.571 1.00 0.00 C ATOM 859 CD1 PHE A 53 -5.739 -5.476 -7.656 1.00 0.00 C ATOM 860 CD2 PHE A 53 -6.129 -3.127 -7.790 1.00 0.00 C ATOM 861 CE1 PHE A 53 -7.067 -5.716 -7.954 1.00 0.00 C ATOM 862 CE2 PHE A 53 -7.458 -3.361 -8.088 1.00 0.00 C ATOM 863 CZ PHE A 53 -7.928 -4.657 -8.169 1.00 0.00 C ATOM 0 H PHE A 53 -4.549 -5.580 -4.691 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.393 -4.012 -5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.565 -2.895 -7.516 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.188 -4.570 -7.864 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.071 -6.308 -7.487 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.767 -2.111 -7.727 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.431 -6.731 -8.019 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.128 -2.531 -8.257 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.967 -4.842 -8.400 1.00 0.00 H new ATOM 873 N GLY A 54 -3.657 -1.925 -4.829 1.00 0.00 N ATOM 874 CA GLY A 54 -4.274 -0.883 -4.028 1.00 0.00 C ATOM 875 C GLY A 54 -3.760 0.499 -4.380 1.00 0.00 C ATOM 876 O GLY A 54 -3.484 0.789 -5.544 1.00 0.00 O ATOM 0 H GLY A 54 -2.800 -1.647 -5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.354 -0.912 -4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.085 -1.080 -2.973 1.00 0.00 H new ATOM 880 N PHE A 55 -3.633 1.355 -3.371 1.00 0.00 N ATOM 881 CA PHE A 55 -3.152 2.716 -3.580 1.00 0.00 C ATOM 882 C PHE A 55 -2.541 3.279 -2.300 1.00 0.00 C ATOM 883 O PHE A 55 -2.744 2.740 -1.212 1.00 0.00 O ATOM 884 CB PHE A 55 -4.294 3.617 -4.052 1.00 0.00 C ATOM 885 CG PHE A 55 -4.892 3.190 -5.362 1.00 0.00 C ATOM 886 CD1 PHE A 55 -4.370 3.651 -6.560 1.00 0.00 C ATOM 887 CD2 PHE A 55 -5.977 2.328 -5.396 1.00 0.00 C ATOM 888 CE1 PHE A 55 -4.918 3.260 -7.767 1.00 0.00 C ATOM 889 CE2 PHE A 55 -6.528 1.933 -6.600 1.00 0.00 C ATOM 890 CZ PHE A 55 -5.999 2.401 -7.787 1.00 0.00 C ATOM 0 H PHE A 55 -3.856 1.131 -2.401 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.380 2.687 -4.349 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.075 3.629 -3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.925 4.638 -4.146 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.525 4.324 -6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.396 1.961 -4.471 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.501 3.626 -8.694 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.372 1.259 -6.613 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.430 2.096 -8.729 1.00 0.00 H new ATOM 900 N VAL A 56 -1.790 4.367 -2.439 1.00 0.00 N ATOM 901 CA VAL A 56 -1.149 5.005 -1.295 1.00 0.00 C ATOM 902 C VAL A 56 -0.864 6.476 -1.574 1.00 0.00 C ATOM 903 O VAL A 56 -0.146 6.813 -2.516 1.00 0.00 O ATOM 904 CB VAL A 56 0.169 4.299 -0.925 1.00 0.00 C ATOM 905 CG1 VAL A 56 0.849 5.010 0.235 1.00 0.00 C ATOM 906 CG2 VAL A 56 -0.085 2.837 -0.589 1.00 0.00 C ATOM 0 H VAL A 56 -1.611 4.825 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.843 4.925 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 56 0.836 4.340 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.778 4.497 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.067 6.040 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.189 5.004 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.857 2.354 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.770 2.772 0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.524 2.336 -1.452 1.00 0.00 H new ATOM 916 N LYS A 57 -1.431 7.350 -0.749 1.00 0.00 N ATOM 917 CA LYS A 57 -1.237 8.786 -0.904 1.00 0.00 C ATOM 918 C LYS A 57 -0.048 9.268 -0.078 1.00 0.00 C ATOM 919 O LYS A 57 0.208 8.760 1.014 1.00 0.00 O ATOM 920 CB LYS A 57 -2.501 9.540 -0.485 1.00 0.00 C ATOM 921 CG LYS A 57 -2.683 10.868 -1.200 1.00 0.00 C ATOM 922 CD LYS A 57 -3.851 11.654 -0.630 1.00 0.00 C ATOM 923 CE LYS A 57 -3.961 13.031 -1.266 1.00 0.00 C ATOM 924 NZ LYS A 57 -4.564 12.968 -2.626 1.00 0.00 N ATOM 0 H LYS A 57 -2.029 7.088 0.035 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.032 8.988 -1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.370 8.911 -0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.469 9.717 0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.770 11.457 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.847 10.690 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.776 11.102 -0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.729 11.759 0.448 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.566 13.677 -0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.971 13.482 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.621 13.927 -3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.973 12.372 -3.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.519 12.561 -2.564 1.00 0.00 H new ATOM 938 N PHE A 58 0.674 10.250 -0.606 1.00 0.00 N ATOM 939 CA PHE A 58 1.835 10.801 0.083 1.00 0.00 C ATOM 940 C PHE A 58 1.716 12.315 0.226 1.00 0.00 C ATOM 941 O PHE A 58 1.580 13.035 -0.763 1.00 0.00 O ATOM 942 CB PHE A 58 3.118 10.448 -0.674 1.00 0.00 C ATOM 943 CG PHE A 58 3.620 9.062 -0.389 1.00 0.00 C ATOM 944 CD1 PHE A 58 4.471 8.825 0.678 1.00 0.00 C ATOM 945 CD2 PHE A 58 3.241 7.995 -1.189 1.00 0.00 C ATOM 946 CE1 PHE A 58 4.935 7.550 0.942 1.00 0.00 C ATOM 947 CE2 PHE A 58 3.702 6.718 -0.930 1.00 0.00 C ATOM 948 CZ PHE A 58 4.549 6.495 0.138 1.00 0.00 C ATOM 0 H PHE A 58 0.476 10.681 -1.509 1.00 0.00 H new ATOM 0 HA PHE A 58 1.876 10.362 1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.938 10.548 -1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.894 11.168 -0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.775 9.646 1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.578 8.164 -2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.599 7.379 1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.400 5.896 -1.562 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.909 5.498 0.344 1.00 0.00 H new ATOM 958 N LYS A 59 1.767 12.792 1.465 1.00 0.00 N ATOM 959 CA LYS A 59 1.665 14.220 1.741 1.00 0.00 C ATOM 960 C LYS A 59 2.458 15.029 0.719 1.00 0.00 C ATOM 961 O LYS A 59 2.105 16.166 0.405 1.00 0.00 O ATOM 962 CB LYS A 59 2.171 14.525 3.153 1.00 0.00 C ATOM 963 CG LYS A 59 1.669 15.847 3.706 1.00 0.00 C ATOM 964 CD LYS A 59 1.704 15.865 5.225 1.00 0.00 C ATOM 965 CE LYS A 59 1.616 17.284 5.768 1.00 0.00 C ATOM 966 NZ LYS A 59 2.846 18.068 5.470 1.00 0.00 N ATOM 0 H LYS A 59 1.879 12.210 2.295 1.00 0.00 H new ATOM 0 HA LYS A 59 0.615 14.505 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.864 13.721 3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.261 14.534 3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.281 16.661 3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.650 16.023 3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.877 15.273 5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.624 15.397 5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.751 17.786 5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.458 17.251 6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.906 18.879 6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.682 17.463 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.810 18.410 4.489 1.00 0.00 H new ATOM 980 N ASP A 60 3.529 14.435 0.204 1.00 0.00 N ATOM 981 CA ASP A 60 4.370 15.100 -0.784 1.00 0.00 C ATOM 982 C ASP A 60 4.476 14.266 -2.057 1.00 0.00 C ATOM 983 O ASP A 60 4.598 13.041 -2.017 1.00 0.00 O ATOM 984 CB ASP A 60 5.764 15.356 -0.209 1.00 0.00 C ATOM 985 CG ASP A 60 6.827 15.444 -1.287 1.00 0.00 C ATOM 986 OD1 ASP A 60 7.031 16.549 -1.831 1.00 0.00 O ATOM 987 OD2 ASP A 60 7.456 14.407 -1.584 1.00 0.00 O ATOM 0 H ASP A 60 3.835 13.495 0.454 1.00 0.00 H new ATOM 0 HA ASP A 60 3.908 16.055 -1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.753 16.284 0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.020 14.556 0.486 1.00 0.00 H new ATOM 992 N PRO A 61 4.428 14.942 -3.214 1.00 0.00 N ATOM 993 CA PRO A 61 4.517 14.283 -4.521 1.00 0.00 C ATOM 994 C PRO A 61 5.908 13.722 -4.793 1.00 0.00 C ATOM 995 O PRO A 61 6.072 12.811 -5.603 1.00 0.00 O ATOM 996 CB PRO A 61 4.191 15.407 -5.508 1.00 0.00 C ATOM 997 CG PRO A 61 4.563 16.660 -4.792 1.00 0.00 C ATOM 998 CD PRO A 61 4.285 16.403 -3.336 1.00 0.00 C ATOM 0 HA PRO A 61 3.846 13.427 -4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.756 15.297 -6.434 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.135 15.404 -5.777 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.613 16.904 -4.952 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.981 17.506 -5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.989 16.931 -2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.286 16.734 -3.053 1.00 0.00 H new ATOM 1006 N ASN A 62 6.908 14.272 -4.111 1.00 0.00 N ATOM 1007 CA ASN A 62 8.285 13.825 -4.281 1.00 0.00 C ATOM 1008 C ASN A 62 8.491 12.448 -3.658 1.00 0.00 C ATOM 1009 O ASN A 62 9.337 11.673 -4.106 1.00 0.00 O ATOM 1010 CB ASN A 62 9.251 14.831 -3.651 1.00 0.00 C ATOM 1011 CG ASN A 62 10.600 14.849 -4.343 1.00 0.00 C ATOM 1012 OD1 ASN A 62 11.201 13.802 -4.582 1.00 0.00 O ATOM 1013 ND2 ASN A 62 11.083 16.043 -4.668 1.00 0.00 N ATOM 0 H ASN A 62 6.790 15.028 -3.436 1.00 0.00 H new ATOM 0 HA ASN A 62 8.488 13.755 -5.350 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.811 15.828 -3.692 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.389 14.587 -2.598 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.987 16.118 -5.135 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.550 16.885 -4.451 1.00 0.00 H new ATOM 1020 N CYS A 63 7.712 12.150 -2.624 1.00 0.00 N ATOM 1021 CA CYS A 63 7.809 10.866 -1.939 1.00 0.00 C ATOM 1022 C CYS A 63 7.670 9.711 -2.925 1.00 0.00 C ATOM 1023 O CYS A 63 8.428 8.743 -2.874 1.00 0.00 O ATOM 1024 CB CYS A 63 6.733 10.760 -0.856 1.00 0.00 C ATOM 1025 SG CYS A 63 6.905 11.969 0.477 1.00 0.00 S ATOM 0 H CYS A 63 7.007 12.780 -2.242 1.00 0.00 H new ATOM 0 HA CYS A 63 8.792 10.805 -1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.754 10.882 -1.319 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.761 9.758 -0.429 1.00 0.00 H new ATOM 0 HG CYS A 63 7.337 13.094 -0.011 1.00 0.00 H new ATOM 1031 N VAL A 64 6.696 9.820 -3.823 1.00 0.00 N ATOM 1032 CA VAL A 64 6.457 8.785 -4.822 1.00 0.00 C ATOM 1033 C VAL A 64 7.762 8.334 -5.468 1.00 0.00 C ATOM 1034 O VAL A 64 8.035 7.139 -5.570 1.00 0.00 O ATOM 1035 CB VAL A 64 5.496 9.277 -5.920 1.00 0.00 C ATOM 1036 CG1 VAL A 64 5.254 8.181 -6.947 1.00 0.00 C ATOM 1037 CG2 VAL A 64 4.184 9.746 -5.310 1.00 0.00 C ATOM 0 H VAL A 64 6.059 10.615 -3.879 1.00 0.00 H new ATOM 0 HA VAL A 64 6.002 7.942 -4.303 1.00 0.00 H new ATOM 0 HB VAL A 64 5.956 10.124 -6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.573 8.546 -7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.201 7.898 -7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.815 7.313 -6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.517 10.090 -6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.716 8.920 -4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.377 10.565 -4.617 1.00 0.00 H new ATOM 1047 N GLY A 65 8.566 9.299 -5.904 1.00 0.00 N ATOM 1048 CA GLY A 65 9.833 8.981 -6.534 1.00 0.00 C ATOM 1049 C GLY A 65 10.733 8.150 -5.641 1.00 0.00 C ATOM 1050 O GLY A 65 11.251 7.114 -6.059 1.00 0.00 O ATOM 0 H GLY A 65 8.362 10.296 -5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.648 8.440 -7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.345 9.906 -6.801 1.00 0.00 H new ATOM 1054 N THR A 66 10.922 8.605 -4.406 1.00 0.00 N ATOM 1055 CA THR A 66 11.768 7.899 -3.452 1.00 0.00 C ATOM 1056 C THR A 66 11.457 6.407 -3.442 1.00 0.00 C ATOM 1057 O THR A 66 12.360 5.575 -3.361 1.00 0.00 O ATOM 1058 CB THR A 66 11.595 8.458 -2.027 1.00 0.00 C ATOM 1059 OG1 THR A 66 11.936 9.849 -2.002 1.00 0.00 O ATOM 1060 CG2 THR A 66 12.467 7.699 -1.039 1.00 0.00 C ATOM 0 H THR A 66 10.500 9.460 -4.043 1.00 0.00 H new ATOM 0 HA THR A 66 12.799 8.050 -3.771 1.00 0.00 H new ATOM 0 HB THR A 66 10.552 8.335 -1.736 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.822 10.198 -1.093 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.328 8.111 -0.040 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.185 6.646 -1.039 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.513 7.795 -1.329 1.00 0.00 H new ATOM 1068 N VAL A 67 10.172 6.074 -3.525 1.00 0.00 N ATOM 1069 CA VAL A 67 9.742 4.681 -3.527 1.00 0.00 C ATOM 1070 C VAL A 67 9.959 4.041 -4.893 1.00 0.00 C ATOM 1071 O VAL A 67 10.301 2.862 -4.992 1.00 0.00 O ATOM 1072 CB VAL A 67 8.257 4.551 -3.140 1.00 0.00 C ATOM 1073 CG1 VAL A 67 7.806 3.101 -3.229 1.00 0.00 C ATOM 1074 CG2 VAL A 67 8.019 5.108 -1.745 1.00 0.00 C ATOM 0 H VAL A 67 9.411 6.750 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 67 10.349 4.161 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 67 7.664 5.134 -3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.754 3.029 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.938 2.741 -4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.402 2.492 -2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.964 5.008 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.622 4.555 -1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.300 6.161 -1.721 1.00 0.00 H new ATOM 1084 N LEU A 68 9.756 4.825 -5.946 1.00 0.00 N ATOM 1085 CA LEU A 68 9.930 4.335 -7.310 1.00 0.00 C ATOM 1086 C LEU A 68 11.379 3.931 -7.563 1.00 0.00 C ATOM 1087 O LEU A 68 11.668 3.167 -8.483 1.00 0.00 O ATOM 1088 CB LEU A 68 9.504 5.407 -8.315 1.00 0.00 C ATOM 1089 CG LEU A 68 8.003 5.677 -8.413 1.00 0.00 C ATOM 1090 CD1 LEU A 68 7.713 6.689 -9.510 1.00 0.00 C ATOM 1091 CD2 LEU A 68 7.243 4.383 -8.664 1.00 0.00 C ATOM 0 H LEU A 68 9.471 5.802 -5.882 1.00 0.00 H new ATOM 0 HA LEU A 68 9.300 3.455 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.004 6.340 -8.055 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.866 5.116 -9.301 1.00 0.00 H new ATOM 0 HG LEU A 68 7.666 6.094 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.639 6.869 -9.565 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.226 7.624 -9.287 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.065 6.301 -10.466 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.176 4.595 -8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.583 3.936 -9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.424 3.689 -7.843 1.00 0.00 H new ATOM 1103 N ALA A 69 12.284 4.446 -6.738 1.00 0.00 N ATOM 1104 CA ALA A 69 13.702 4.135 -6.870 1.00 0.00 C ATOM 1105 C ALA A 69 14.096 2.975 -5.962 1.00 0.00 C ATOM 1106 O ALA A 69 15.160 2.377 -6.128 1.00 0.00 O ATOM 1107 CB ALA A 69 14.543 5.363 -6.555 1.00 0.00 C ATOM 0 H ALA A 69 12.061 5.080 -5.971 1.00 0.00 H new ATOM 0 HA ALA A 69 13.889 3.835 -7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.600 5.116 -6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.289 6.165 -7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.344 5.688 -5.534 1.00 0.00 H new ATOM 1113 N SER A 70 13.233 2.661 -5.001 1.00 0.00 N ATOM 1114 CA SER A 70 13.494 1.575 -4.063 1.00 0.00 C ATOM 1115 C SER A 70 13.100 0.231 -4.667 1.00 0.00 C ATOM 1116 O SER A 70 13.543 -0.822 -4.207 1.00 0.00 O ATOM 1117 CB SER A 70 12.729 1.805 -2.758 1.00 0.00 C ATOM 1118 OG SER A 70 11.334 1.646 -2.950 1.00 0.00 O ATOM 0 H SER A 70 12.347 3.143 -4.851 1.00 0.00 H new ATOM 0 HA SER A 70 14.563 1.559 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.077 1.103 -2.000 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.936 2.807 -2.383 1.00 0.00 H new ATOM 0 HG SER A 70 11.168 0.857 -3.508 1.00 0.00 H new ATOM 1124 N ARG A 71 12.265 0.274 -5.699 1.00 0.00 N ATOM 1125 CA ARG A 71 11.809 -0.940 -6.366 1.00 0.00 C ATOM 1126 C ARG A 71 12.987 -1.850 -6.701 1.00 0.00 C ATOM 1127 O ARG A 71 14.117 -1.400 -6.893 1.00 0.00 O ATOM 1128 CB ARG A 71 11.043 -0.589 -7.642 1.00 0.00 C ATOM 1129 CG ARG A 71 10.068 0.564 -7.470 1.00 0.00 C ATOM 1130 CD ARG A 71 9.141 0.694 -8.668 1.00 0.00 C ATOM 1131 NE ARG A 71 9.857 1.111 -9.871 1.00 0.00 N ATOM 1132 CZ ARG A 71 9.307 1.142 -11.080 1.00 0.00 C ATOM 1133 NH1 ARG A 71 8.041 0.783 -11.246 1.00 0.00 N ATOM 1134 NH2 ARG A 71 10.023 1.533 -12.126 1.00 0.00 N ATOM 0 H ARG A 71 11.890 1.137 -6.092 1.00 0.00 H new ATOM 0 HA ARG A 71 11.143 -1.471 -5.686 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.757 -0.336 -8.426 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.496 -1.469 -7.981 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.477 0.411 -6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.622 1.493 -7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.650 -0.261 -8.851 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.357 1.418 -8.443 1.00 0.00 H new ATOM 0 HE ARG A 71 10.833 1.394 -9.778 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.487 0.482 -10.444 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.622 0.808 -12.175 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.997 1.810 -12.003 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.600 1.556 -13.054 1.00 0.00 H new ATOM 1148 N PRO A 72 12.719 -3.162 -6.773 1.00 0.00 N ATOM 1149 CA PRO A 72 11.379 -3.710 -6.547 1.00 0.00 C ATOM 1150 C PRO A 72 10.948 -3.603 -5.088 1.00 0.00 C ATOM 1151 O PRO A 72 11.658 -3.031 -4.260 1.00 0.00 O ATOM 1152 CB PRO A 72 11.522 -5.178 -6.955 1.00 0.00 C ATOM 1153 CG PRO A 72 12.967 -5.485 -6.767 1.00 0.00 C ATOM 1154 CD PRO A 72 13.705 -4.212 -7.081 1.00 0.00 C ATOM 0 HA PRO A 72 10.618 -3.169 -7.109 1.00 0.00 H new ATOM 0 HB2 PRO A 72 10.897 -5.823 -6.338 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.216 -5.333 -7.990 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.167 -5.811 -5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.284 -6.293 -7.427 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.605 -4.109 -6.474 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.018 -4.176 -8.124 1.00 0.00 H new ATOM 1162 N HIS A 73 9.779 -4.156 -4.779 1.00 0.00 N ATOM 1163 CA HIS A 73 9.254 -4.123 -3.418 1.00 0.00 C ATOM 1164 C HIS A 73 8.748 -5.499 -2.997 1.00 0.00 C ATOM 1165 O HIS A 73 8.596 -6.397 -3.826 1.00 0.00 O ATOM 1166 CB HIS A 73 8.125 -3.097 -3.309 1.00 0.00 C ATOM 1167 CG HIS A 73 8.604 -1.678 -3.304 1.00 0.00 C ATOM 1168 ND1 HIS A 73 8.778 -0.947 -2.148 1.00 0.00 N ATOM 1169 CD2 HIS A 73 8.949 -0.856 -4.323 1.00 0.00 C ATOM 1170 CE1 HIS A 73 9.206 0.264 -2.456 1.00 0.00 C ATOM 1171 NE2 HIS A 73 9.319 0.345 -3.769 1.00 0.00 N ATOM 0 H HIS A 73 9.178 -4.632 -5.452 1.00 0.00 H new ATOM 0 HA HIS A 73 10.065 -3.833 -2.750 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.437 -3.237 -4.142 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.561 -3.285 -2.395 1.00 0.00 H new ATOM 0 HD2 HIS A 73 8.936 -1.099 -5.375 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.426 1.054 -1.753 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.631 1.166 -4.288 1.00 0.00 H new ATOM 1180 N THR A 74 8.489 -5.659 -1.703 1.00 0.00 N ATOM 1181 CA THR A 74 8.003 -6.926 -1.172 1.00 0.00 C ATOM 1182 C THR A 74 7.442 -6.754 0.235 1.00 0.00 C ATOM 1183 O THR A 74 8.193 -6.587 1.197 1.00 0.00 O ATOM 1184 CB THR A 74 9.118 -7.988 -1.141 1.00 0.00 C ATOM 1185 OG1 THR A 74 9.783 -8.037 -2.409 1.00 0.00 O ATOM 1186 CG2 THR A 74 8.551 -9.360 -0.808 1.00 0.00 C ATOM 0 H THR A 74 8.608 -4.926 -1.003 1.00 0.00 H new ATOM 0 HA THR A 74 7.209 -7.263 -1.838 1.00 0.00 H new ATOM 0 HB THR A 74 9.832 -7.710 -0.366 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.141 -7.838 -3.123 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.358 -10.093 -0.792 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.071 -9.328 0.170 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.818 -9.644 -1.563 1.00 0.00 H new ATOM 1194 N LEU A 75 6.120 -6.796 0.349 1.00 0.00 N ATOM 1195 CA LEU A 75 5.458 -6.645 1.641 1.00 0.00 C ATOM 1196 C LEU A 75 4.532 -7.825 1.919 1.00 0.00 C ATOM 1197 O LEU A 75 4.100 -8.519 0.999 1.00 0.00 O ATOM 1198 CB LEU A 75 4.663 -5.339 1.679 1.00 0.00 C ATOM 1199 CG LEU A 75 3.756 -5.140 2.894 1.00 0.00 C ATOM 1200 CD1 LEU A 75 4.580 -5.069 4.170 1.00 0.00 C ATOM 1201 CD2 LEU A 75 2.913 -3.884 2.730 1.00 0.00 C ATOM 0 H LEU A 75 5.484 -6.933 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 75 6.226 -6.619 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.366 -4.508 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.049 -5.284 0.780 1.00 0.00 H new ATOM 0 HG LEU A 75 3.086 -5.996 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.917 -4.927 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.139 -5.997 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.276 -4.232 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.274 -3.758 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.567 -3.017 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.294 -3.975 1.838 1.00 0.00 H new ATOM 1213 N ASP A 76 4.231 -8.045 3.194 1.00 0.00 N ATOM 1214 CA ASP A 76 3.354 -9.140 3.595 1.00 0.00 C ATOM 1215 C ASP A 76 3.763 -10.441 2.912 1.00 0.00 C ATOM 1216 O ASP A 76 2.918 -11.190 2.424 1.00 0.00 O ATOM 1217 CB ASP A 76 1.900 -8.806 3.256 1.00 0.00 C ATOM 1218 CG ASP A 76 1.197 -8.073 4.381 1.00 0.00 C ATOM 1219 OD1 ASP A 76 0.642 -8.747 5.274 1.00 0.00 O ATOM 1220 OD2 ASP A 76 1.203 -6.824 4.369 1.00 0.00 O ATOM 0 H ASP A 76 4.581 -7.480 3.968 1.00 0.00 H new ATOM 0 HA ASP A 76 3.447 -9.272 4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.872 -8.194 2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.361 -9.727 3.034 1.00 0.00 H new ATOM 1225 N GLY A 77 5.066 -10.704 2.882 1.00 0.00 N ATOM 1226 CA GLY A 77 5.564 -11.915 2.256 1.00 0.00 C ATOM 1227 C GLY A 77 5.036 -12.099 0.847 1.00 0.00 C ATOM 1228 O GLY A 77 4.841 -13.226 0.393 1.00 0.00 O ATOM 0 H GLY A 77 5.785 -10.100 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.653 -11.886 2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.282 -12.776 2.862 1.00 0.00 H new ATOM 1232 N ARG A 78 4.802 -10.989 0.155 1.00 0.00 N ATOM 1233 CA ARG A 78 4.290 -11.033 -1.209 1.00 0.00 C ATOM 1234 C ARG A 78 4.949 -9.961 -2.072 1.00 0.00 C ATOM 1235 O ARG A 78 4.907 -8.776 -1.746 1.00 0.00 O ATOM 1236 CB ARG A 78 2.772 -10.844 -1.213 1.00 0.00 C ATOM 1237 CG ARG A 78 2.072 -11.562 -2.356 1.00 0.00 C ATOM 1238 CD ARG A 78 1.952 -10.671 -3.583 1.00 0.00 C ATOM 1239 NE ARG A 78 1.608 -11.432 -4.780 1.00 0.00 N ATOM 1240 CZ ARG A 78 2.504 -12.050 -5.542 1.00 0.00 C ATOM 1241 NH1 ARG A 78 3.792 -11.996 -5.231 1.00 0.00 N ATOM 1242 NH2 ARG A 78 2.113 -12.723 -6.616 1.00 0.00 N ATOM 0 H ARG A 78 4.959 -10.048 0.517 1.00 0.00 H new ATOM 0 HA ARG A 78 4.529 -12.010 -1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.367 -11.203 -0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.547 -9.779 -1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.626 -12.465 -2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.079 -11.877 -2.035 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.191 -9.911 -3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.894 -10.148 -3.745 1.00 0.00 H new ATOM 0 HE ARG A 78 0.625 -11.493 -5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.096 -11.479 -4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.479 -12.471 -5.817 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.123 -12.767 -6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.802 -13.197 -7.200 1.00 0.00 H new ATOM 1256 N ASN A 79 5.557 -10.387 -3.174 1.00 0.00 N ATOM 1257 CA ASN A 79 6.227 -9.464 -4.084 1.00 0.00 C ATOM 1258 C ASN A 79 5.251 -8.415 -4.609 1.00 0.00 C ATOM 1259 O ASN A 79 4.197 -8.749 -5.151 1.00 0.00 O ATOM 1260 CB ASN A 79 6.849 -10.229 -5.254 1.00 0.00 C ATOM 1261 CG ASN A 79 7.671 -11.418 -4.795 1.00 0.00 C ATOM 1262 OD1 ASN A 79 7.215 -12.560 -4.847 1.00 0.00 O ATOM 1263 ND2 ASN A 79 8.891 -11.153 -4.343 1.00 0.00 N ATOM 0 H ASN A 79 5.600 -11.365 -3.459 1.00 0.00 H new ATOM 0 HA ASN A 79 7.017 -8.956 -3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.059 -10.573 -5.921 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.482 -9.554 -5.831 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.492 -11.912 -4.021 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.228 -10.191 -4.318 1.00 0.00 H new ATOM 1270 N ILE A 80 5.610 -7.146 -4.444 1.00 0.00 N ATOM 1271 CA ILE A 80 4.768 -6.049 -4.902 1.00 0.00 C ATOM 1272 C ILE A 80 5.584 -5.012 -5.668 1.00 0.00 C ATOM 1273 O ILE A 80 6.814 -5.025 -5.630 1.00 0.00 O ATOM 1274 CB ILE A 80 4.054 -5.357 -3.726 1.00 0.00 C ATOM 1275 CG1 ILE A 80 5.054 -4.542 -2.902 1.00 0.00 C ATOM 1276 CG2 ILE A 80 3.355 -6.387 -2.851 1.00 0.00 C ATOM 1277 CD1 ILE A 80 4.400 -3.553 -1.964 1.00 0.00 C ATOM 0 H ILE A 80 6.478 -6.853 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 80 4.020 -6.482 -5.566 1.00 0.00 H new ATOM 0 HB ILE A 80 3.302 -4.677 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.676 -5.224 -2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.717 -4.004 -3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.855 -5.883 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.618 -6.929 -3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.090 -7.089 -2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.169 -3.011 -1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.801 -2.847 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.758 -4.086 -1.263 1.00 0.00 H new ATOM 1289 N ASP A 81 4.890 -4.115 -6.360 1.00 0.00 N ATOM 1290 CA ASP A 81 5.550 -3.069 -7.132 1.00 0.00 C ATOM 1291 C ASP A 81 4.655 -1.839 -7.257 1.00 0.00 C ATOM 1292 O ASP A 81 3.617 -1.861 -7.917 1.00 0.00 O ATOM 1293 CB ASP A 81 5.921 -3.588 -8.522 1.00 0.00 C ATOM 1294 CG ASP A 81 7.044 -2.792 -9.157 1.00 0.00 C ATOM 1295 OD1 ASP A 81 8.208 -2.975 -8.743 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.759 -1.988 -10.068 1.00 0.00 O ATOM 0 H ASP A 81 3.871 -4.091 -6.402 1.00 0.00 H new ATOM 0 HA ASP A 81 6.460 -2.782 -6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.218 -4.634 -8.449 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.043 -3.550 -9.167 1.00 0.00 H new ATOM 1301 N PRO A 82 5.065 -0.740 -6.606 1.00 0.00 N ATOM 1302 CA PRO A 82 4.315 0.519 -6.628 1.00 0.00 C ATOM 1303 C PRO A 82 4.356 1.194 -7.995 1.00 0.00 C ATOM 1304 O PRO A 82 5.190 0.863 -8.838 1.00 0.00 O ATOM 1305 CB PRO A 82 5.034 1.379 -5.586 1.00 0.00 C ATOM 1306 CG PRO A 82 6.419 0.833 -5.535 1.00 0.00 C ATOM 1307 CD PRO A 82 6.293 -0.642 -5.799 1.00 0.00 C ATOM 0 HA PRO A 82 3.256 0.366 -6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.033 2.431 -5.872 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.546 1.313 -4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.054 1.310 -6.281 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.876 1.018 -4.563 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.159 -1.030 -6.336 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.212 -1.211 -4.873 1.00 0.00 H new ATOM 1315 N LYS A 83 3.450 2.142 -8.209 1.00 0.00 N ATOM 1316 CA LYS A 83 3.383 2.866 -9.473 1.00 0.00 C ATOM 1317 C LYS A 83 2.961 4.314 -9.248 1.00 0.00 C ATOM 1318 O LYS A 83 2.142 4.621 -8.381 1.00 0.00 O ATOM 1319 CB LYS A 83 2.401 2.179 -10.425 1.00 0.00 C ATOM 1320 CG LYS A 83 2.813 0.769 -10.810 1.00 0.00 C ATOM 1321 CD LYS A 83 3.988 0.774 -11.773 1.00 0.00 C ATOM 1322 CE LYS A 83 3.549 1.123 -13.187 1.00 0.00 C ATOM 1323 NZ LYS A 83 4.564 0.718 -14.198 1.00 0.00 N ATOM 0 H LYS A 83 2.751 2.427 -7.523 1.00 0.00 H new ATOM 0 HA LYS A 83 4.377 2.861 -9.920 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.417 2.146 -9.957 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.304 2.780 -11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.079 0.209 -9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.968 0.255 -11.268 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.734 1.493 -11.435 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.466 -0.206 -11.771 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.602 0.630 -13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.373 2.196 -13.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.228 0.973 -15.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.461 1.208 -14.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.713 -0.310 -14.148 1.00 0.00 H new ATOM 1337 N PRO A 84 3.531 5.228 -10.048 1.00 0.00 N ATOM 1338 CA PRO A 84 3.228 6.659 -9.957 1.00 0.00 C ATOM 1339 C PRO A 84 1.815 6.984 -10.430 1.00 0.00 C ATOM 1340 O PRO A 84 1.417 8.148 -10.474 1.00 0.00 O ATOM 1341 CB PRO A 84 4.263 7.301 -10.884 1.00 0.00 C ATOM 1342 CG PRO A 84 4.613 6.231 -11.859 1.00 0.00 C ATOM 1343 CD PRO A 84 4.515 4.934 -11.103 1.00 0.00 C ATOM 0 HA PRO A 84 3.274 7.020 -8.930 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.854 8.177 -11.387 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.140 7.633 -10.329 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.931 6.240 -12.709 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.618 6.377 -12.255 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.184 4.118 -11.746 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.477 4.639 -10.684 1.00 0.00 H new ATOM 1351 N CYS A 85 1.061 5.948 -10.782 1.00 0.00 N ATOM 1352 CA CYS A 85 -0.308 6.123 -11.252 1.00 0.00 C ATOM 1353 C CYS A 85 -0.346 6.990 -12.506 1.00 0.00 C ATOM 1354 O CYS A 85 -1.222 7.842 -12.660 1.00 0.00 O ATOM 1355 CB CYS A 85 -1.169 6.752 -10.156 1.00 0.00 C ATOM 1356 SG CYS A 85 -1.969 5.552 -9.065 1.00 0.00 S ATOM 0 H CYS A 85 1.375 4.978 -10.751 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.709 5.140 -11.500 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.546 7.414 -9.555 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.936 7.371 -10.622 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.187 5.343 -9.469 1.00 0.00 H new ATOM 1362 N THR A 86 0.613 6.771 -13.400 1.00 0.00 N ATOM 1363 CA THR A 86 0.692 7.534 -14.639 1.00 0.00 C ATOM 1364 C THR A 86 0.870 6.614 -15.841 1.00 0.00 C ATOM 1365 O THR A 86 1.394 5.505 -15.732 1.00 0.00 O ATOM 1366 CB THR A 86 1.853 8.544 -14.604 1.00 0.00 C ATOM 1367 OG1 THR A 86 3.057 7.893 -14.182 1.00 0.00 O ATOM 1368 CG2 THR A 86 1.539 9.698 -13.663 1.00 0.00 C ATOM 0 H THR A 86 1.346 6.071 -13.289 1.00 0.00 H new ATOM 0 HA THR A 86 -0.248 8.076 -14.736 1.00 0.00 H new ATOM 0 HB THR A 86 1.989 8.942 -15.610 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.791 8.542 -14.164 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.374 10.399 -13.655 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.639 10.210 -14.003 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.379 9.313 -12.656 1.00 0.00 H new