USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 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 81 SER OG : rot 180:sc= -0.579 USER MOD Set 1.2: A 82 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 SER OG : rot -38:sc= 0.132 USER MOD Set 2.2: A 63 THR OG1 : rot -60:sc= 0.0284 USER MOD Single : A 15 THR OG1 : rot 31:sc= 0.102 USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0134) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc=-0.00138 X(o=-0.0014,f=-0.18) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0943 X(o=-0.094,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0171) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= -0.0664 (180deg=-0.389) USER MOD Single : A 35 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.18) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -6.65! C(o=-6.6!,f=-7.2!) USER MOD Single : A 42 LYS NZ :NH3+ -116:sc= 1.04 (180deg=-0.418) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 47 GLN : amide:sc=-0.00916 X(o=-0.0092,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.869 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc=-0.00143 K(o=-0.0014,f=-1.7) USER MOD Single : A 72 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.051) USER MOD Single : A 73 THR OG1 : rot -64:sc= 0.767 USER MOD Single : A 74 MET CE :methyl -98:sc= -0.213 (180deg=-2.36) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -107:sc= -0.382 USER MOD Single : A 93 SER OG : rot 117:sc= -0.209 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -120:sc= -1.48 USER MOD Single : A 99 HIS : no HD1:sc= -0.26 K(o=-0.26,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 168 N THR A 15 -9.192 7.029 11.587 1.00 0.00 N ATOM 169 CA THR A 15 -8.072 6.873 10.667 1.00 0.00 C ATOM 170 C THR A 15 -7.303 5.588 10.950 1.00 0.00 C ATOM 171 O THR A 15 -7.026 5.259 12.103 1.00 0.00 O ATOM 172 CB THR A 15 -7.103 8.067 10.755 1.00 0.00 C ATOM 173 OG1 THR A 15 -7.812 9.291 10.533 1.00 0.00 O ATOM 174 CG2 THR A 15 -5.983 7.932 9.734 1.00 0.00 C ATOM 0 HA THR A 15 -8.492 6.828 9.662 1.00 0.00 H new ATOM 0 HB THR A 15 -6.664 8.077 11.753 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.734 9.197 10.851 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.312 8.787 9.815 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.427 7.014 9.924 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.407 7.898 8.731 1.00 0.00 H new ATOM 182 N LYS A 16 -6.960 4.864 9.890 1.00 0.00 N ATOM 183 CA LYS A 16 -6.221 3.614 10.023 1.00 0.00 C ATOM 184 C LYS A 16 -4.747 3.815 9.685 1.00 0.00 C ATOM 185 O LYS A 16 -4.391 4.726 8.938 1.00 0.00 O ATOM 186 CB LYS A 16 -6.823 2.542 9.111 1.00 0.00 C ATOM 187 CG LYS A 16 -8.164 2.017 9.592 1.00 0.00 C ATOM 188 CD LYS A 16 -8.001 1.062 10.763 1.00 0.00 C ATOM 189 CE LYS A 16 -9.272 0.977 11.594 1.00 0.00 C ATOM 190 NZ LYS A 16 -9.441 2.167 12.473 1.00 0.00 N ATOM 0 H LYS A 16 -7.182 5.122 8.928 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.296 3.285 11.059 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.942 2.954 8.109 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.124 1.710 9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.798 2.853 9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.671 1.507 8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.741 0.071 10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.175 1.394 11.392 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.133 0.889 10.932 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.247 0.075 12.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.272 2.032 13.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.593 2.286 13.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.576 3.015 11.887 1.00 0.00 H new ATOM 204 N GLU A 17 -3.896 2.958 10.240 1.00 0.00 N ATOM 205 CA GLU A 17 -2.460 3.043 9.996 1.00 0.00 C ATOM 206 C GLU A 17 -1.857 1.653 9.810 1.00 0.00 C ATOM 207 O GLU A 17 -2.029 0.772 10.653 1.00 0.00 O ATOM 208 CB GLU A 17 -1.765 3.762 11.154 1.00 0.00 C ATOM 209 CG GLU A 17 -2.308 5.156 11.419 1.00 0.00 C ATOM 210 CD GLU A 17 -2.037 5.629 12.834 1.00 0.00 C ATOM 211 OE1 GLU A 17 -1.051 5.157 13.437 1.00 0.00 O ATOM 212 OE2 GLU A 17 -2.810 6.470 13.337 1.00 0.00 O ATOM 0 H GLU A 17 -4.175 2.198 10.861 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.306 3.613 9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.870 3.162 12.058 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.699 3.831 10.940 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.860 5.856 10.714 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.383 5.164 11.237 1.00 0.00 H new ATOM 219 N LEU A 18 -1.151 1.465 8.701 1.00 0.00 N ATOM 220 CA LEU A 18 -0.522 0.183 8.403 1.00 0.00 C ATOM 221 C LEU A 18 0.997 0.317 8.371 1.00 0.00 C ATOM 222 O LEU A 18 1.543 1.154 7.652 1.00 0.00 O ATOM 223 CB LEU A 18 -1.026 -0.355 7.063 1.00 0.00 C ATOM 224 CG LEU A 18 -0.946 -1.870 6.875 1.00 0.00 C ATOM 225 CD1 LEU A 18 -2.078 -2.562 7.619 1.00 0.00 C ATOM 226 CD2 LEU A 18 -0.981 -2.227 5.396 1.00 0.00 C ATOM 0 H LEU A 18 -1.000 2.184 7.993 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.790 -0.518 9.193 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.064 -0.048 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.455 0.121 6.265 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.000 -2.218 7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.004 -3.640 7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.007 -2.334 8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.035 -2.209 7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.923 -3.309 5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.910 -1.865 4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.135 -1.763 4.890 1.00 0.00 H new ATOM 238 N VAL A 19 1.676 -0.517 9.153 1.00 0.00 N ATOM 239 CA VAL A 19 3.133 -0.494 9.212 1.00 0.00 C ATOM 240 C VAL A 19 3.709 -1.900 9.082 1.00 0.00 C ATOM 241 O VAL A 19 3.264 -2.830 9.755 1.00 0.00 O ATOM 242 CB VAL A 19 3.632 0.134 10.527 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.151 0.199 10.544 1.00 0.00 C ATOM 244 CG2 VAL A 19 3.028 1.517 10.719 1.00 0.00 C ATOM 0 H VAL A 19 1.240 -1.217 9.754 1.00 0.00 H new ATOM 0 HA VAL A 19 3.475 0.115 8.375 1.00 0.00 H new ATOM 0 HB VAL A 19 3.310 -0.496 11.356 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.486 0.645 11.480 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.559 -0.808 10.456 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.499 0.806 9.708 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.391 1.946 11.653 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.318 2.159 9.887 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.941 1.438 10.754 1.00 0.00 H new ATOM 254 N PHE A 20 4.703 -2.047 8.213 1.00 0.00 N ATOM 255 CA PHE A 20 5.342 -3.340 7.993 1.00 0.00 C ATOM 256 C PHE A 20 6.767 -3.162 7.479 1.00 0.00 C ATOM 257 O PHE A 20 7.126 -2.102 6.967 1.00 0.00 O ATOM 258 CB PHE A 20 4.529 -4.172 7.000 1.00 0.00 C ATOM 259 CG PHE A 20 4.081 -3.397 5.794 1.00 0.00 C ATOM 260 CD1 PHE A 20 4.944 -3.185 4.731 1.00 0.00 C ATOM 261 CD2 PHE A 20 2.798 -2.880 5.723 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.535 -2.472 3.619 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.383 -2.167 4.614 1.00 0.00 C ATOM 264 CZ PHE A 20 3.253 -1.962 3.561 1.00 0.00 C ATOM 0 H PHE A 20 5.084 -1.287 7.649 1.00 0.00 H new ATOM 0 HA PHE A 20 5.382 -3.864 8.948 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.129 -5.022 6.674 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.653 -4.576 7.508 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.948 -3.581 4.771 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.114 -3.036 6.544 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.217 -2.314 2.797 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.379 -1.771 4.571 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.931 -1.404 2.694 1.00 0.00 H new ATOM 274 N SER A 21 7.575 -4.208 7.618 1.00 0.00 N ATOM 275 CA SER A 21 8.963 -4.167 7.172 1.00 0.00 C ATOM 276 C SER A 21 9.042 -4.069 5.652 1.00 0.00 C ATOM 277 O SER A 21 8.109 -4.451 4.945 1.00 0.00 O ATOM 278 CB SER A 21 9.713 -5.411 7.654 1.00 0.00 C ATOM 279 OG SER A 21 9.406 -6.535 6.848 1.00 0.00 O ATOM 0 H SER A 21 7.292 -5.095 8.036 1.00 0.00 H new ATOM 0 HA SER A 21 9.431 -3.281 7.601 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.787 -5.224 7.630 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.449 -5.620 8.691 1.00 0.00 H new ATOM 0 HG SER A 21 9.899 -7.316 7.175 1.00 0.00 H new ATOM 285 N SER A 22 10.162 -3.554 5.156 1.00 0.00 N ATOM 286 CA SER A 22 10.363 -3.401 3.719 1.00 0.00 C ATOM 287 C SER A 22 10.802 -4.720 3.089 1.00 0.00 C ATOM 288 O SER A 22 10.884 -4.839 1.867 1.00 0.00 O ATOM 289 CB SER A 22 11.406 -2.317 3.441 1.00 0.00 C ATOM 290 OG SER A 22 11.351 -1.891 2.091 1.00 0.00 O ATOM 0 H SER A 22 10.945 -3.235 5.727 1.00 0.00 H new ATOM 0 HA SER A 22 9.414 -3.104 3.273 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.236 -1.467 4.101 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.402 -2.700 3.665 1.00 0.00 H new ATOM 0 HG SER A 22 11.168 -2.661 1.512 1.00 0.00 H new ATOM 296 N ASN A 23 11.085 -5.707 3.933 1.00 0.00 N ATOM 297 CA ASN A 23 11.517 -7.017 3.460 1.00 0.00 C ATOM 298 C ASN A 23 10.349 -7.998 3.435 1.00 0.00 C ATOM 299 O ASN A 23 10.547 -9.214 3.443 1.00 0.00 O ATOM 300 CB ASN A 23 12.636 -7.561 4.350 1.00 0.00 C ATOM 301 CG ASN A 23 13.749 -6.552 4.561 1.00 0.00 C ATOM 302 OD1 ASN A 23 13.623 -5.632 5.369 1.00 0.00 O ATOM 303 ND2 ASN A 23 14.846 -6.722 3.833 1.00 0.00 N ATOM 0 H ASN A 23 11.023 -5.624 4.948 1.00 0.00 H new ATOM 0 HA ASN A 23 11.894 -6.902 2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.221 -7.848 5.316 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.048 -8.464 3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.629 -6.075 3.931 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.906 -7.499 3.175 1.00 0.00 H new ATOM 310 N ILE A 24 9.134 -7.462 3.403 1.00 0.00 N ATOM 311 CA ILE A 24 7.935 -8.291 3.375 1.00 0.00 C ATOM 312 C ILE A 24 7.798 -9.016 2.040 1.00 0.00 C ATOM 313 O ILE A 24 7.863 -8.399 0.978 1.00 0.00 O ATOM 314 CB ILE A 24 6.666 -7.454 3.624 1.00 0.00 C ATOM 315 CG1 ILE A 24 5.453 -8.368 3.806 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.437 -6.484 2.474 1.00 0.00 C ATOM 317 CD1 ILE A 24 4.150 -7.617 3.973 1.00 0.00 C ATOM 0 H ILE A 24 8.954 -6.458 3.396 1.00 0.00 H new ATOM 0 HA ILE A 24 8.040 -9.024 4.175 1.00 0.00 H new ATOM 0 HB ILE A 24 6.803 -6.877 4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.374 -9.029 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.613 -9.001 4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.537 -5.900 2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.293 -5.814 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.317 -7.042 1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.333 -8.328 4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.210 -6.976 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.967 -7.005 3.090 1.00 0.00 H new ATOM 329 N GLY A 25 7.608 -10.330 2.103 1.00 0.00 N ATOM 330 CA GLY A 25 7.463 -11.118 0.893 1.00 0.00 C ATOM 331 C GLY A 25 6.155 -10.846 0.177 1.00 0.00 C ATOM 332 O GLY A 25 5.444 -9.898 0.510 1.00 0.00 O ATOM 0 H GLY A 25 7.552 -10.863 2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.293 -10.902 0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.523 -12.177 1.144 1.00 0.00 H new ATOM 336 N GLN A 26 5.838 -11.679 -0.809 1.00 0.00 N ATOM 337 CA GLN A 26 4.608 -11.522 -1.575 1.00 0.00 C ATOM 338 C GLN A 26 3.425 -12.143 -0.839 1.00 0.00 C ATOM 339 O GLN A 26 2.312 -11.616 -0.875 1.00 0.00 O ATOM 340 CB GLN A 26 4.757 -12.161 -2.956 1.00 0.00 C ATOM 341 CG GLN A 26 3.684 -11.731 -3.945 1.00 0.00 C ATOM 342 CD GLN A 26 4.123 -11.889 -5.387 1.00 0.00 C ATOM 343 OE1 GLN A 26 3.852 -12.909 -6.022 1.00 0.00 O ATOM 344 NE2 GLN A 26 4.805 -10.878 -5.913 1.00 0.00 N ATOM 0 H GLN A 26 6.416 -12.469 -1.096 1.00 0.00 H new ATOM 0 HA GLN A 26 4.418 -10.455 -1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.736 -11.906 -3.361 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.728 -13.245 -2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.783 -12.321 -3.777 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.422 -10.689 -3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.007 -10.052 -5.350 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.126 -10.928 -6.880 1.00 0.00 H new ATOM 353 N HIS A 27 3.673 -13.265 -0.172 1.00 0.00 N ATOM 354 CA HIS A 27 2.628 -13.958 0.574 1.00 0.00 C ATOM 355 C HIS A 27 2.036 -13.052 1.649 1.00 0.00 C ATOM 356 O HIS A 27 0.817 -12.961 1.795 1.00 0.00 O ATOM 357 CB HIS A 27 3.186 -15.230 1.213 1.00 0.00 C ATOM 358 CG HIS A 27 3.285 -16.384 0.263 1.00 0.00 C ATOM 359 ND1 HIS A 27 4.321 -17.294 0.289 1.00 0.00 N ATOM 360 CD2 HIS A 27 2.468 -16.775 -0.743 1.00 0.00 C ATOM 361 CE1 HIS A 27 4.138 -18.193 -0.661 1.00 0.00 C ATOM 362 NE2 HIS A 27 3.020 -17.902 -1.301 1.00 0.00 N ATOM 0 H HIS A 27 4.588 -13.714 -0.132 1.00 0.00 H new ATOM 0 HA HIS A 27 1.836 -14.229 -0.124 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.175 -15.019 1.619 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.551 -15.514 2.052 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.553 -16.291 -1.050 1.00 0.00 H new ATOM 0 HE1 HIS A 27 4.792 -19.025 -0.878 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.630 -18.429 -2.083 1.00 0.00 H new ATOM 371 N ASP A 28 2.906 -12.386 2.399 1.00 0.00 N ATOM 372 CA ASP A 28 2.469 -11.487 3.461 1.00 0.00 C ATOM 373 C ASP A 28 1.928 -10.183 2.881 1.00 0.00 C ATOM 374 O ASP A 28 0.851 -9.722 3.261 1.00 0.00 O ATOM 375 CB ASP A 28 3.626 -11.192 4.417 1.00 0.00 C ATOM 376 CG ASP A 28 4.189 -12.450 5.049 1.00 0.00 C ATOM 377 OD1 ASP A 28 4.516 -13.394 4.300 1.00 0.00 O ATOM 378 OD2 ASP A 28 4.301 -12.491 6.292 1.00 0.00 O ATOM 0 H ASP A 28 3.918 -12.451 2.292 1.00 0.00 H new ATOM 0 HA ASP A 28 1.668 -11.979 4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.418 -10.675 3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.283 -10.517 5.201 1.00 0.00 H new ATOM 383 N LEU A 29 2.683 -9.593 1.960 1.00 0.00 N ATOM 384 CA LEU A 29 2.280 -8.342 1.328 1.00 0.00 C ATOM 385 C LEU A 29 0.866 -8.446 0.766 1.00 0.00 C ATOM 386 O LEU A 29 0.046 -7.546 0.948 1.00 0.00 O ATOM 387 CB LEU A 29 3.259 -7.973 0.213 1.00 0.00 C ATOM 388 CG LEU A 29 2.972 -6.666 -0.527 1.00 0.00 C ATOM 389 CD1 LEU A 29 3.149 -5.476 0.403 1.00 0.00 C ATOM 390 CD2 LEU A 29 3.875 -6.533 -1.745 1.00 0.00 C ATOM 0 H LEU A 29 3.577 -9.961 1.635 1.00 0.00 H new ATOM 0 HA LEU A 29 2.292 -7.560 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.260 -7.913 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.272 -8.784 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 29 1.937 -6.684 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.941 -4.555 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.460 -5.565 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.173 -5.454 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.657 -5.597 -2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.918 -6.538 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.698 -7.369 -2.422 1.00 0.00 H new ATOM 402 N ASP A 30 0.587 -9.551 0.082 1.00 0.00 N ATOM 403 CA ASP A 30 -0.729 -9.775 -0.505 1.00 0.00 C ATOM 404 C ASP A 30 -1.832 -9.307 0.439 1.00 0.00 C ATOM 405 O ASP A 30 -2.825 -8.719 0.009 1.00 0.00 O ATOM 406 CB ASP A 30 -0.918 -11.257 -0.834 1.00 0.00 C ATOM 407 CG ASP A 30 -2.103 -11.499 -1.749 1.00 0.00 C ATOM 408 OD1 ASP A 30 -1.995 -11.191 -2.954 1.00 0.00 O ATOM 409 OD2 ASP A 30 -3.137 -11.999 -1.259 1.00 0.00 O ATOM 0 H ASP A 30 1.255 -10.305 -0.079 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.793 -9.195 -1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.013 -11.640 -1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.056 -11.817 0.091 1.00 0.00 H new ATOM 414 N THR A 31 -1.651 -9.571 1.730 1.00 0.00 N ATOM 415 CA THR A 31 -2.631 -9.179 2.735 1.00 0.00 C ATOM 416 C THR A 31 -2.727 -7.661 2.847 1.00 0.00 C ATOM 417 O THR A 31 -3.777 -7.074 2.587 1.00 0.00 O ATOM 418 CB THR A 31 -2.284 -9.763 4.117 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.113 -11.182 4.020 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.375 -9.447 5.128 1.00 0.00 C ATOM 0 H THR A 31 -0.834 -10.055 2.104 1.00 0.00 H new ATOM 0 HA THR A 31 -3.592 -9.579 2.411 1.00 0.00 H new ATOM 0 HB THR A 31 -1.354 -9.307 4.456 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.891 -11.546 4.902 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.107 -9.870 6.096 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.483 -8.366 5.221 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.318 -9.878 4.792 1.00 0.00 H new ATOM 428 N LYS A 32 -1.623 -7.031 3.235 1.00 0.00 N ATOM 429 CA LYS A 32 -1.581 -5.581 3.380 1.00 0.00 C ATOM 430 C LYS A 32 -2.423 -4.902 2.305 1.00 0.00 C ATOM 431 O LYS A 32 -3.152 -3.950 2.583 1.00 0.00 O ATOM 432 CB LYS A 32 -0.136 -5.082 3.303 1.00 0.00 C ATOM 433 CG LYS A 32 0.615 -5.187 4.619 1.00 0.00 C ATOM 434 CD LYS A 32 1.254 -6.554 4.789 1.00 0.00 C ATOM 435 CE LYS A 32 2.140 -6.606 6.024 1.00 0.00 C ATOM 436 NZ LYS A 32 1.351 -6.455 7.279 1.00 0.00 N ATOM 0 H LYS A 32 -0.745 -7.502 3.455 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.995 -5.326 4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.397 -5.654 2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.137 -4.042 2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.385 -4.417 4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.070 -4.999 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.476 -7.313 4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.846 -6.793 3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.678 -7.553 6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.888 -5.815 5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.977 -6.580 8.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.926 -5.507 7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.599 -7.173 7.305 1.00 0.00 H new ATOM 450 N SER A 33 -2.318 -5.398 1.076 1.00 0.00 N ATOM 451 CA SER A 33 -3.068 -4.837 -0.041 1.00 0.00 C ATOM 452 C SER A 33 -4.570 -4.913 0.220 1.00 0.00 C ATOM 453 O SER A 33 -5.269 -3.900 0.187 1.00 0.00 O ATOM 454 CB SER A 33 -2.727 -5.578 -1.335 1.00 0.00 C ATOM 455 OG SER A 33 -1.405 -5.287 -1.756 1.00 0.00 O ATOM 0 H SER A 33 -1.721 -6.187 0.829 1.00 0.00 H new ATOM 0 HA SER A 33 -2.787 -3.789 -0.145 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.835 -6.652 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.432 -5.294 -2.117 1.00 0.00 H new ATOM 0 HG SER A 33 -1.211 -5.774 -2.584 1.00 0.00 H new ATOM 461 N LYS A 34 -5.059 -6.120 0.480 1.00 0.00 N ATOM 462 CA LYS A 34 -6.476 -6.331 0.749 1.00 0.00 C ATOM 463 C LYS A 34 -6.929 -5.513 1.955 1.00 0.00 C ATOM 464 O LYS A 34 -7.843 -4.696 1.853 1.00 0.00 O ATOM 465 CB LYS A 34 -6.755 -7.816 0.992 1.00 0.00 C ATOM 466 CG LYS A 34 -6.305 -8.714 -0.147 1.00 0.00 C ATOM 467 CD LYS A 34 -5.915 -10.095 0.353 1.00 0.00 C ATOM 468 CE LYS A 34 -6.072 -11.146 -0.735 1.00 0.00 C ATOM 469 NZ LYS A 34 -7.502 -11.380 -1.079 1.00 0.00 N ATOM 0 H LYS A 34 -4.494 -6.969 0.510 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.039 -6.000 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.253 -8.126 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.824 -7.955 1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.107 -8.804 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.457 -8.258 -0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.881 -10.079 0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.534 -10.361 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.531 -10.829 -1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.620 -12.081 -0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.604 -12.317 -1.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.078 -11.339 -0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.823 -10.648 -1.744 1.00 0.00 H new ATOM 483 N GLN A 35 -6.282 -5.739 3.093 1.00 0.00 N ATOM 484 CA GLN A 35 -6.619 -5.022 4.318 1.00 0.00 C ATOM 485 C GLN A 35 -6.898 -3.552 4.028 1.00 0.00 C ATOM 486 O GLN A 35 -7.964 -3.035 4.364 1.00 0.00 O ATOM 487 CB GLN A 35 -5.483 -5.147 5.335 1.00 0.00 C ATOM 488 CG GLN A 35 -5.579 -6.391 6.204 1.00 0.00 C ATOM 489 CD GLN A 35 -6.834 -6.414 7.054 1.00 0.00 C ATOM 490 OE1 GLN A 35 -7.683 -7.293 6.904 1.00 0.00 O ATOM 491 NE2 GLN A 35 -6.957 -5.445 7.954 1.00 0.00 N ATOM 0 H GLN A 35 -5.522 -6.412 3.193 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.522 -5.469 4.735 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.531 -5.157 4.804 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.481 -4.265 5.976 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.559 -7.276 5.568 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.705 -6.445 6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.228 -4.737 8.044 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.780 -5.409 8.555 1.00 0.00 H new ATOM 500 N ILE A 36 -5.935 -2.883 3.402 1.00 0.00 N ATOM 501 CA ILE A 36 -6.079 -1.472 3.067 1.00 0.00 C ATOM 502 C ILE A 36 -7.318 -1.234 2.210 1.00 0.00 C ATOM 503 O ILE A 36 -8.166 -0.408 2.545 1.00 0.00 O ATOM 504 CB ILE A 36 -4.841 -0.942 2.319 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.577 -1.181 3.147 1.00 0.00 C ATOM 506 CG2 ILE A 36 -5.005 0.538 2.006 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.316 -1.262 2.315 1.00 0.00 C ATOM 0 H ILE A 36 -5.047 -3.296 3.117 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.183 -0.933 4.009 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.743 -1.483 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.471 -0.376 3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.691 -2.107 3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.122 0.898 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.886 0.682 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.124 1.095 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.460 -1.433 2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.401 -2.085 1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.178 -0.327 1.772 1.00 0.00 H new ATOM 519 N GLN A 37 -7.415 -1.965 1.104 1.00 0.00 N ATOM 520 CA GLN A 37 -8.551 -1.834 0.200 1.00 0.00 C ATOM 521 C GLN A 37 -9.859 -1.746 0.979 1.00 0.00 C ATOM 522 O GLN A 37 -10.683 -0.867 0.727 1.00 0.00 O ATOM 523 CB GLN A 37 -8.598 -3.018 -0.768 1.00 0.00 C ATOM 524 CG GLN A 37 -9.500 -2.785 -1.969 1.00 0.00 C ATOM 525 CD GLN A 37 -10.033 -4.077 -2.557 1.00 0.00 C ATOM 526 OE1 GLN A 37 -10.966 -4.678 -2.023 1.00 0.00 O ATOM 527 NE2 GLN A 37 -9.443 -4.512 -3.664 1.00 0.00 N ATOM 0 H GLN A 37 -6.721 -2.653 0.813 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.426 -0.913 -0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.588 -3.231 -1.118 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.942 -3.902 -0.231 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.337 -2.152 -1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.946 -2.243 -2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.673 -3.983 -4.073 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.760 -5.375 -4.105 1.00 0.00 H new ATOM 536 N GLN A 38 -10.043 -2.662 1.923 1.00 0.00 N ATOM 537 CA GLN A 38 -11.252 -2.688 2.738 1.00 0.00 C ATOM 538 C GLN A 38 -11.537 -1.312 3.332 1.00 0.00 C ATOM 539 O GLN A 38 -12.655 -0.805 3.240 1.00 0.00 O ATOM 540 CB GLN A 38 -11.117 -3.722 3.857 1.00 0.00 C ATOM 541 CG GLN A 38 -11.360 -5.150 3.397 1.00 0.00 C ATOM 542 CD GLN A 38 -10.263 -5.665 2.486 1.00 0.00 C ATOM 543 OE1 GLN A 38 -10.168 -5.267 1.324 1.00 0.00 O ATOM 544 NE2 GLN A 38 -9.428 -6.554 3.009 1.00 0.00 N ATOM 0 H GLN A 38 -9.370 -3.397 2.143 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.087 -2.967 2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.118 -3.652 4.286 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.823 -3.480 4.652 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.438 -5.800 4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.315 -5.202 2.874 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.544 -6.855 3.977 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.670 -6.936 2.443 1.00 0.00 H new ATOM 553 N TRP A 39 -10.520 -0.715 3.942 1.00 0.00 N ATOM 554 CA TRP A 39 -10.662 0.602 4.552 1.00 0.00 C ATOM 555 C TRP A 39 -10.972 1.660 3.499 1.00 0.00 C ATOM 556 O TRP A 39 -11.890 2.464 3.665 1.00 0.00 O ATOM 557 CB TRP A 39 -9.386 0.977 5.308 1.00 0.00 C ATOM 558 CG TRP A 39 -9.112 0.092 6.487 1.00 0.00 C ATOM 559 CD1 TRP A 39 -10.030 -0.414 7.363 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.835 -0.390 6.919 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.400 -1.180 8.313 1.00 0.00 N ATOM 562 CE2 TRP A 39 -8.054 -1.182 8.063 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.528 -0.230 6.450 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -7.014 -1.811 8.742 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.497 -0.854 7.126 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.745 -1.637 8.261 1.00 0.00 C ATOM 0 H TRP A 39 -9.588 -1.121 4.028 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.494 0.561 5.255 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.539 0.930 4.623 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.464 2.010 5.648 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -11.094 -0.238 7.315 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.861 -1.669 9.081 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.328 0.371 5.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.202 -2.415 9.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.483 -0.736 6.774 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.918 -2.113 8.767 1.00 0.00 H new ATOM 577 N ILE A 40 -10.202 1.653 2.416 1.00 0.00 N ATOM 578 CA ILE A 40 -10.397 2.612 1.335 1.00 0.00 C ATOM 579 C ILE A 40 -11.849 2.630 0.871 1.00 0.00 C ATOM 580 O ILE A 40 -12.409 3.690 0.595 1.00 0.00 O ATOM 581 CB ILE A 40 -9.489 2.296 0.132 1.00 0.00 C ATOM 582 CG1 ILE A 40 -8.017 2.370 0.542 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.774 3.256 -1.013 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.566 3.761 0.928 1.00 0.00 C ATOM 0 H ILE A 40 -9.438 0.995 2.264 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.133 3.592 1.732 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.701 1.282 -0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.848 1.696 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.400 2.013 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.124 3.020 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.816 3.158 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.586 4.279 -0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.513 3.738 1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.703 4.435 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.157 4.114 1.773 1.00 0.00 H new ATOM 596 N GLU A 41 -12.454 1.448 0.791 1.00 0.00 N ATOM 597 CA GLU A 41 -13.842 1.329 0.361 1.00 0.00 C ATOM 598 C GLU A 41 -14.746 2.246 1.180 1.00 0.00 C ATOM 599 O GLU A 41 -15.610 2.934 0.636 1.00 0.00 O ATOM 600 CB GLU A 41 -14.316 -0.120 0.490 1.00 0.00 C ATOM 601 CG GLU A 41 -13.931 -0.994 -0.691 1.00 0.00 C ATOM 602 CD GLU A 41 -14.814 -0.761 -1.902 1.00 0.00 C ATOM 603 OE1 GLU A 41 -14.871 0.391 -2.381 1.00 0.00 O ATOM 604 OE2 GLU A 41 -15.447 -1.730 -2.370 1.00 0.00 O ATOM 0 H GLU A 41 -12.005 0.561 1.018 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.899 1.631 -0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.899 -0.550 1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.400 -0.130 0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.893 -0.798 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.992 -2.042 -0.398 1.00 0.00 H new ATOM 611 N LYS A 42 -14.540 2.251 2.493 1.00 0.00 N ATOM 612 CA LYS A 42 -15.334 3.083 3.389 1.00 0.00 C ATOM 613 C LYS A 42 -14.775 4.501 3.454 1.00 0.00 C ATOM 614 O LYS A 42 -15.032 5.238 4.406 1.00 0.00 O ATOM 615 CB LYS A 42 -15.366 2.472 4.792 1.00 0.00 C ATOM 616 CG LYS A 42 -16.184 1.195 4.880 1.00 0.00 C ATOM 617 CD LYS A 42 -15.852 0.406 6.136 1.00 0.00 C ATOM 618 CE LYS A 42 -14.568 -0.392 5.969 1.00 0.00 C ATOM 619 NZ LYS A 42 -14.737 -1.521 5.013 1.00 0.00 N ATOM 0 H LYS A 42 -13.829 1.688 2.960 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.350 3.129 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.345 2.263 5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.774 3.204 5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.246 1.441 4.874 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.994 0.579 4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.750 1.089 6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.674 -0.270 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.774 0.267 5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.253 -0.780 6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.607 -2.423 5.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.692 -1.488 4.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.031 -1.442 4.254 1.00 0.00 H new ATOM 633 N LYS A 43 -14.009 4.877 2.435 1.00 0.00 N ATOM 634 CA LYS A 43 -13.415 6.207 2.374 1.00 0.00 C ATOM 635 C LYS A 43 -12.602 6.498 3.631 1.00 0.00 C ATOM 636 O LYS A 43 -12.695 7.583 4.205 1.00 0.00 O ATOM 637 CB LYS A 43 -14.505 7.267 2.202 1.00 0.00 C ATOM 638 CG LYS A 43 -15.255 7.162 0.885 1.00 0.00 C ATOM 639 CD LYS A 43 -16.397 6.163 0.972 1.00 0.00 C ATOM 640 CE LYS A 43 -17.201 6.123 -0.319 1.00 0.00 C ATOM 641 NZ LYS A 43 -18.213 5.031 -0.307 1.00 0.00 N ATOM 0 H LYS A 43 -13.785 4.279 1.640 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.746 6.240 1.514 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.216 7.181 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.053 8.256 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.647 8.141 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.566 6.861 0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.999 5.171 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -17.052 6.429 1.802 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -17.701 7.080 -0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.526 5.984 -1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -18.740 5.036 -1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.734 4.115 -0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -18.873 5.178 0.483 1.00 0.00 H new ATOM 655 N TYR A 44 -11.804 5.523 4.052 1.00 0.00 N ATOM 656 CA TYR A 44 -10.974 5.675 5.242 1.00 0.00 C ATOM 657 C TYR A 44 -9.528 5.978 4.863 1.00 0.00 C ATOM 658 O TYR A 44 -8.947 5.313 4.004 1.00 0.00 O ATOM 659 CB TYR A 44 -11.035 4.408 6.096 1.00 0.00 C ATOM 660 CG TYR A 44 -12.156 4.414 7.110 1.00 0.00 C ATOM 661 CD1 TYR A 44 -12.357 5.506 7.946 1.00 0.00 C ATOM 662 CD2 TYR A 44 -13.014 3.328 7.234 1.00 0.00 C ATOM 663 CE1 TYR A 44 -13.380 5.517 8.875 1.00 0.00 C ATOM 664 CE2 TYR A 44 -14.040 3.331 8.159 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.219 4.427 8.977 1.00 0.00 C ATOM 666 OH TYR A 44 -15.239 4.432 9.901 1.00 0.00 O ATOM 0 H TYR A 44 -11.714 4.619 3.587 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.362 6.514 5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.153 3.544 5.442 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.086 4.285 6.617 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.702 6.361 7.868 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.876 2.467 6.597 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -13.522 6.374 9.517 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.699 2.479 8.241 1.00 0.00 H new ATOM 0 HH TYR A 44 -15.737 3.590 9.843 1.00 0.00 H new ATOM 676 N HIS A 45 -8.952 6.986 5.510 1.00 0.00 N ATOM 677 CA HIS A 45 -7.573 7.378 5.242 1.00 0.00 C ATOM 678 C HIS A 45 -6.596 6.385 5.866 1.00 0.00 C ATOM 679 O HIS A 45 -6.450 6.325 7.087 1.00 0.00 O ATOM 680 CB HIS A 45 -7.305 8.782 5.783 1.00 0.00 C ATOM 681 CG HIS A 45 -7.661 9.873 4.820 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.728 10.524 4.041 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.858 10.425 4.511 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.335 11.430 3.296 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.628 11.390 3.562 1.00 0.00 N ATOM 0 H HIS A 45 -9.419 7.546 6.223 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.425 7.379 4.162 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.872 8.922 6.704 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.250 8.867 6.042 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.815 10.156 4.933 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.856 12.091 2.589 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.340 11.980 3.132 1.00 0.00 H new ATOM 694 N VAL A 46 -5.929 5.607 5.019 1.00 0.00 N ATOM 695 CA VAL A 46 -4.966 4.618 5.486 1.00 0.00 C ATOM 696 C VAL A 46 -3.535 5.111 5.298 1.00 0.00 C ATOM 697 O VAL A 46 -3.131 5.463 4.190 1.00 0.00 O ATOM 698 CB VAL A 46 -5.136 3.277 4.748 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.161 2.242 5.289 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.570 2.783 4.864 1.00 0.00 C ATOM 0 H VAL A 46 -6.038 5.643 4.006 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.158 4.467 6.548 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.914 3.433 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.296 1.301 4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.140 2.596 5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.348 2.087 6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.672 1.834 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.823 2.643 5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.245 3.517 4.423 1.00 0.00 H new ATOM 710 N GLN A 47 -2.775 5.134 6.388 1.00 0.00 N ATOM 711 CA GLN A 47 -1.389 5.584 6.342 1.00 0.00 C ATOM 712 C GLN A 47 -0.432 4.398 6.293 1.00 0.00 C ATOM 713 O GLN A 47 -0.261 3.683 7.280 1.00 0.00 O ATOM 714 CB GLN A 47 -1.074 6.458 7.557 1.00 0.00 C ATOM 715 CG GLN A 47 0.408 6.747 7.732 1.00 0.00 C ATOM 716 CD GLN A 47 0.724 7.392 9.067 1.00 0.00 C ATOM 717 OE1 GLN A 47 1.126 6.719 10.016 1.00 0.00 O ATOM 718 NE2 GLN A 47 0.543 8.706 9.147 1.00 0.00 N ATOM 0 H GLN A 47 -3.095 4.847 7.313 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.255 6.173 5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.611 7.402 7.464 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.448 5.966 8.455 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.969 5.817 7.641 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.744 7.402 6.928 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.208 9.225 8.335 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.739 9.196 10.020 1.00 0.00 H new ATOM 727 N VAL A 48 0.190 4.193 5.136 1.00 0.00 N ATOM 728 CA VAL A 48 1.131 3.093 4.957 1.00 0.00 C ATOM 729 C VAL A 48 2.561 3.543 5.234 1.00 0.00 C ATOM 730 O VAL A 48 2.973 4.629 4.823 1.00 0.00 O ATOM 731 CB VAL A 48 1.053 2.514 3.532 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.108 1.436 3.336 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.339 1.965 3.256 1.00 0.00 C ATOM 0 H VAL A 48 0.059 4.775 4.308 1.00 0.00 H new ATOM 0 HA VAL A 48 0.852 2.318 5.671 1.00 0.00 H new ATOM 0 HB VAL A 48 1.250 3.316 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.038 1.038 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.099 1.864 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.944 0.632 4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.376 1.560 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.567 1.175 3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.072 2.766 3.353 1.00 0.00 H new ATOM 743 N THR A 49 3.316 2.701 5.933 1.00 0.00 N ATOM 744 CA THR A 49 4.700 3.011 6.265 1.00 0.00 C ATOM 745 C THR A 49 5.597 1.793 6.078 1.00 0.00 C ATOM 746 O THR A 49 5.310 0.714 6.596 1.00 0.00 O ATOM 747 CB THR A 49 4.831 3.512 7.716 1.00 0.00 C ATOM 748 OG1 THR A 49 4.156 4.766 7.864 1.00 0.00 O ATOM 749 CG2 THR A 49 6.293 3.668 8.105 1.00 0.00 C ATOM 0 H THR A 49 2.991 1.799 6.280 1.00 0.00 H new ATOM 0 HA THR A 49 5.018 3.801 5.585 1.00 0.00 H new ATOM 0 HB THR A 49 4.373 2.774 8.375 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.243 5.077 8.789 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.360 4.023 9.133 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.797 2.705 8.020 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.771 4.388 7.441 1.00 0.00 H new ATOM 757 N ILE A 50 6.684 1.973 5.334 1.00 0.00 N ATOM 758 CA ILE A 50 7.623 0.889 5.080 1.00 0.00 C ATOM 759 C ILE A 50 8.962 1.150 5.762 1.00 0.00 C ATOM 760 O ILE A 50 9.718 2.031 5.354 1.00 0.00 O ATOM 761 CB ILE A 50 7.859 0.690 3.571 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.534 0.416 2.858 1.00 0.00 C ATOM 763 CG2 ILE A 50 8.839 -0.449 3.334 1.00 0.00 C ATOM 764 CD1 ILE A 50 6.606 0.599 1.358 1.00 0.00 C ATOM 0 H ILE A 50 6.935 2.860 4.897 1.00 0.00 H new ATOM 0 HA ILE A 50 7.178 -0.016 5.492 1.00 0.00 H new ATOM 0 HB ILE A 50 8.289 1.604 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.217 -0.604 3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.770 1.081 3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.996 -0.577 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.790 -0.217 3.814 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.435 -1.370 3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.631 0.388 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.892 1.626 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.347 -0.085 0.943 1.00 0.00 H new ATOM 776 N LYS A 51 9.250 0.376 6.804 1.00 0.00 N ATOM 777 CA LYS A 51 10.499 0.520 7.542 1.00 0.00 C ATOM 778 C LYS A 51 11.700 0.296 6.629 1.00 0.00 C ATOM 779 O LYS A 51 12.122 -0.840 6.411 1.00 0.00 O ATOM 780 CB LYS A 51 10.541 -0.468 8.710 1.00 0.00 C ATOM 781 CG LYS A 51 9.387 -0.308 9.684 1.00 0.00 C ATOM 782 CD LYS A 51 9.541 -1.224 10.887 1.00 0.00 C ATOM 783 CE LYS A 51 9.086 -2.640 10.571 1.00 0.00 C ATOM 784 NZ LYS A 51 8.858 -3.438 11.807 1.00 0.00 N ATOM 0 H LYS A 51 8.635 -0.357 7.156 1.00 0.00 H new ATOM 0 HA LYS A 51 10.547 1.537 7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.534 -1.484 8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.480 -0.341 9.249 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.333 0.728 10.019 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.448 -0.528 9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.584 -1.238 11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.960 -0.832 11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.166 -2.604 9.987 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.837 -3.133 9.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.549 -4.397 11.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.742 -3.494 12.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.124 -2.981 12.385 1.00 0.00 H new ATOM 978 N THR A 63 12.315 0.218 -1.998 1.00 0.00 N ATOM 979 CA THR A 63 11.328 0.530 -0.972 1.00 0.00 C ATOM 980 C THR A 63 10.111 1.224 -1.572 1.00 0.00 C ATOM 981 O THR A 63 8.977 0.959 -1.178 1.00 0.00 O ATOM 982 CB THR A 63 11.926 1.426 0.129 1.00 0.00 C ATOM 983 OG1 THR A 63 12.931 0.709 0.853 1.00 0.00 O ATOM 984 CG2 THR A 63 10.844 1.900 1.088 1.00 0.00 C ATOM 0 HA THR A 63 11.021 -0.418 -0.531 1.00 0.00 H new ATOM 0 HB THR A 63 12.375 2.298 -0.347 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.531 -0.081 1.272 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.290 2.531 1.857 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.096 2.471 0.539 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.370 1.038 1.557 1.00 0.00 H new ATOM 992 N GLU A 64 10.356 2.114 -2.529 1.00 0.00 N ATOM 993 CA GLU A 64 9.278 2.847 -3.184 1.00 0.00 C ATOM 994 C GLU A 64 8.455 1.922 -4.075 1.00 0.00 C ATOM 995 O GLU A 64 7.231 2.037 -4.143 1.00 0.00 O ATOM 996 CB GLU A 64 9.846 4.000 -4.014 1.00 0.00 C ATOM 997 CG GLU A 64 8.885 5.165 -4.175 1.00 0.00 C ATOM 998 CD GLU A 64 9.334 6.150 -5.237 1.00 0.00 C ATOM 999 OE1 GLU A 64 9.384 5.763 -6.423 1.00 0.00 O ATOM 1000 OE2 GLU A 64 9.637 7.308 -4.881 1.00 0.00 O ATOM 0 H GLU A 64 11.290 2.345 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 64 8.626 3.253 -2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.762 4.358 -3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.119 3.626 -5.001 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.897 4.783 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.787 5.684 -3.222 1.00 0.00 H new ATOM 1007 N GLU A 65 9.135 1.005 -4.756 1.00 0.00 N ATOM 1008 CA GLU A 65 8.466 0.062 -5.644 1.00 0.00 C ATOM 1009 C GLU A 65 7.233 -0.536 -4.973 1.00 0.00 C ATOM 1010 O GLU A 65 6.154 -0.586 -5.564 1.00 0.00 O ATOM 1011 CB GLU A 65 9.428 -1.055 -6.056 1.00 0.00 C ATOM 1012 CG GLU A 65 10.468 -0.617 -7.073 1.00 0.00 C ATOM 1013 CD GLU A 65 9.951 -0.674 -8.497 1.00 0.00 C ATOM 1014 OE1 GLU A 65 8.801 -0.245 -8.728 1.00 0.00 O ATOM 1015 OE2 GLU A 65 10.695 -1.148 -9.381 1.00 0.00 O ATOM 0 H GLU A 65 10.148 0.895 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 65 8.147 0.604 -6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.936 -1.431 -5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.854 -1.884 -6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.786 0.401 -6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.348 -1.254 -6.984 1.00 0.00 H new ATOM 1022 N ILE A 66 7.402 -0.989 -3.735 1.00 0.00 N ATOM 1023 CA ILE A 66 6.303 -1.583 -2.983 1.00 0.00 C ATOM 1024 C ILE A 66 5.032 -0.752 -3.118 1.00 0.00 C ATOM 1025 O ILE A 66 3.993 -1.252 -3.550 1.00 0.00 O ATOM 1026 CB ILE A 66 6.654 -1.726 -1.491 1.00 0.00 C ATOM 1027 CG1 ILE A 66 7.850 -2.664 -1.313 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.453 -2.237 -0.710 1.00 0.00 C ATOM 1029 CD1 ILE A 66 8.075 -3.092 0.121 1.00 0.00 C ATOM 0 H ILE A 66 8.289 -0.956 -3.232 1.00 0.00 H new ATOM 0 HA ILE A 66 6.132 -2.574 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 66 6.925 -0.744 -1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.701 -3.551 -1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.748 -2.168 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.718 -2.333 0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.626 -1.535 -0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.154 -3.210 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.939 -3.755 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.256 -2.213 0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.192 -3.617 0.487 1.00 0.00 H new ATOM 1041 N PHE A 67 5.122 0.521 -2.747 1.00 0.00 N ATOM 1042 CA PHE A 67 3.980 1.423 -2.827 1.00 0.00 C ATOM 1043 C PHE A 67 3.108 1.092 -4.035 1.00 0.00 C ATOM 1044 O PHE A 67 1.885 1.203 -3.980 1.00 0.00 O ATOM 1045 CB PHE A 67 4.454 2.876 -2.908 1.00 0.00 C ATOM 1046 CG PHE A 67 4.865 3.448 -1.582 1.00 0.00 C ATOM 1047 CD1 PHE A 67 4.013 3.381 -0.490 1.00 0.00 C ATOM 1048 CD2 PHE A 67 6.102 4.052 -1.425 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.388 3.907 0.731 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.482 4.580 -0.206 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.625 4.506 0.874 1.00 0.00 C ATOM 0 H PHE A 67 5.974 0.951 -2.388 1.00 0.00 H new ATOM 0 HA PHE A 67 3.383 1.293 -1.924 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.296 2.937 -3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.655 3.488 -3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.046 2.912 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.777 4.111 -2.266 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.715 3.850 1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.448 5.050 -0.098 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.921 4.915 1.829 1.00 0.00 H new ATOM 1061 N ASN A 68 3.750 0.686 -5.126 1.00 0.00 N ATOM 1062 CA ASN A 68 3.035 0.340 -6.349 1.00 0.00 C ATOM 1063 C ASN A 68 2.409 -1.047 -6.239 1.00 0.00 C ATOM 1064 O ASN A 68 1.235 -1.235 -6.557 1.00 0.00 O ATOM 1065 CB ASN A 68 3.982 0.391 -7.550 1.00 0.00 C ATOM 1066 CG ASN A 68 4.351 1.810 -7.935 1.00 0.00 C ATOM 1067 OD1 ASN A 68 3.534 2.549 -8.484 1.00 0.00 O ATOM 1068 ND2 ASN A 68 5.588 2.198 -7.647 1.00 0.00 N ATOM 0 H ASN A 68 4.763 0.589 -5.188 1.00 0.00 H new ATOM 0 HA ASN A 68 2.237 1.069 -6.493 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.889 -0.167 -7.318 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.513 -0.103 -8.401 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.894 3.142 -7.882 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.232 1.552 -7.191 1.00 0.00 H new ATOM 1075 N GLN A 69 3.201 -2.014 -5.786 1.00 0.00 N ATOM 1076 CA GLN A 69 2.724 -3.383 -5.634 1.00 0.00 C ATOM 1077 C GLN A 69 1.416 -3.420 -4.851 1.00 0.00 C ATOM 1078 O GLN A 69 0.644 -4.374 -4.958 1.00 0.00 O ATOM 1079 CB GLN A 69 3.779 -4.238 -4.929 1.00 0.00 C ATOM 1080 CG GLN A 69 5.140 -4.204 -5.605 1.00 0.00 C ATOM 1081 CD GLN A 69 5.931 -5.479 -5.390 1.00 0.00 C ATOM 1082 OE1 GLN A 69 5.676 -6.229 -4.447 1.00 0.00 O ATOM 1083 NE2 GLN A 69 6.897 -5.732 -6.265 1.00 0.00 N ATOM 0 H GLN A 69 4.175 -1.874 -5.518 1.00 0.00 H new ATOM 0 HA GLN A 69 2.542 -3.790 -6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.885 -3.894 -3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.429 -5.270 -4.886 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.006 -4.040 -6.674 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.711 -3.358 -5.222 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.074 -5.083 -7.032 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.462 -6.576 -6.171 1.00 0.00 H new ATOM 1092 N ILE A 70 1.174 -2.378 -4.063 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.041 -2.292 -3.262 1.00 0.00 C ATOM 1094 C ILE A 70 -1.151 -1.574 -4.023 1.00 0.00 C ATOM 1095 O ILE A 70 -2.324 -1.936 -3.919 1.00 0.00 O ATOM 1096 CB ILE A 70 0.212 -1.558 -1.932 1.00 0.00 C ATOM 1097 CG1 ILE A 70 1.353 -2.228 -1.164 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.056 -1.533 -1.092 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.977 -1.338 -0.112 1.00 0.00 C ATOM 0 H ILE A 70 1.803 -1.582 -3.962 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.352 -3.315 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 70 0.501 -0.530 -2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.977 -3.133 -0.686 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.123 -2.537 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.862 -1.011 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.844 -1.016 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.372 -2.554 -0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.778 -1.878 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.384 -0.445 -0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.219 -1.049 0.616 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.773 -0.557 -4.789 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.736 0.212 -5.570 1.00 0.00 C ATOM 1113 C LEU A 71 -2.134 -0.540 -6.836 1.00 0.00 C ATOM 1114 O LEU A 71 -3.137 -0.216 -7.472 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.152 1.577 -5.936 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.100 2.545 -6.644 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -3.009 3.233 -5.637 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.314 3.573 -7.444 1.00 0.00 C ATOM 0 H LEU A 71 0.193 -0.245 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.628 0.357 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.794 2.053 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.283 1.419 -6.575 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.721 1.975 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.677 3.918 -6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.598 2.484 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.404 3.790 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.005 4.253 -7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.667 4.139 -6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.705 3.064 -8.192 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.344 -1.547 -7.193 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.615 -2.346 -8.383 1.00 0.00 C ATOM 1132 C GLN A 72 -2.888 -3.168 -8.207 1.00 0.00 C ATOM 1133 O GLN A 72 -3.458 -3.665 -9.179 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.434 -3.270 -8.683 1.00 0.00 C ATOM 1135 CG GLN A 72 0.745 -2.560 -9.329 1.00 0.00 C ATOM 1136 CD GLN A 72 0.483 -2.195 -10.777 1.00 0.00 C ATOM 1137 OE1 GLN A 72 0.658 -1.044 -11.180 1.00 0.00 O ATOM 1138 NE2 GLN A 72 0.063 -3.175 -11.568 1.00 0.00 N ATOM 0 H GLN A 72 -0.511 -1.829 -6.676 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.756 -1.666 -9.223 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.103 -3.736 -7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.769 -4.072 -9.340 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.973 -1.655 -8.765 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.625 -3.200 -9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.068 -4.114 -11.191 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.128 -2.989 -12.552 1.00 0.00 H new ATOM 1147 N THR A 73 -3.329 -3.308 -6.961 1.00 0.00 N ATOM 1148 CA THR A 73 -4.533 -4.071 -6.657 1.00 0.00 C ATOM 1149 C THR A 73 -5.757 -3.165 -6.594 1.00 0.00 C ATOM 1150 O THR A 73 -6.891 -3.630 -6.702 1.00 0.00 O ATOM 1151 CB THR A 73 -4.397 -4.826 -5.321 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.389 -3.897 -4.232 1.00 0.00 O ATOM 1153 CG2 THR A 73 -3.123 -5.657 -5.295 1.00 0.00 C ATOM 0 H THR A 73 -2.870 -2.903 -6.145 1.00 0.00 H new ATOM 0 HA THR A 73 -4.661 -4.794 -7.463 1.00 0.00 H new ATOM 0 HB THR A 73 -5.251 -5.496 -5.220 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.595 -3.326 -4.295 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.049 -6.181 -4.342 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.146 -6.384 -6.107 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.260 -5.003 -5.417 1.00 0.00 H new ATOM 1161 N MET A 74 -5.520 -1.869 -6.419 1.00 0.00 N ATOM 1162 CA MET A 74 -6.605 -0.898 -6.343 1.00 0.00 C ATOM 1163 C MET A 74 -6.327 0.298 -7.249 1.00 0.00 C ATOM 1164 O MET A 74 -6.513 1.453 -6.867 1.00 0.00 O ATOM 1165 CB MET A 74 -6.796 -0.426 -4.901 1.00 0.00 C ATOM 1166 CG MET A 74 -5.493 -0.287 -4.129 1.00 0.00 C ATOM 1167 SD MET A 74 -5.750 0.226 -2.420 1.00 0.00 S ATOM 1168 CE MET A 74 -4.828 -1.035 -1.545 1.00 0.00 C ATOM 0 H MET A 74 -4.587 -1.467 -6.327 1.00 0.00 H new ATOM 0 HA MET A 74 -7.520 -1.385 -6.682 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.309 0.535 -4.907 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.444 -1.130 -4.380 1.00 0.00 H new ATOM 0 HG2 MET A 74 -4.964 -1.240 -4.143 1.00 0.00 H new ATOM 0 HG3 MET A 74 -4.854 0.440 -4.630 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.512 -1.808 -1.195 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.091 -1.478 -2.215 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.319 -0.587 -0.691 1.00 0.00 H new ATOM 1178 N PRO A 75 -5.872 0.017 -8.479 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.560 1.056 -9.464 1.00 0.00 C ATOM 1180 C PRO A 75 -6.810 1.758 -9.982 1.00 0.00 C ATOM 1181 O PRO A 75 -6.723 2.722 -10.743 1.00 0.00 O ATOM 1182 CB PRO A 75 -4.876 0.281 -10.593 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.401 -1.108 -10.471 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.627 -1.338 -9.002 1.00 0.00 C ATOM 0 HA PRO A 75 -4.945 1.849 -9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.112 0.709 -11.567 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.791 0.305 -10.489 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.328 -1.225 -11.032 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.691 -1.830 -10.874 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.477 -1.997 -8.824 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.760 -1.801 -8.530 1.00 0.00 H new ATOM 1192 N ASP A 76 -7.973 1.270 -9.564 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.242 1.852 -9.985 1.00 0.00 C ATOM 1194 C ASP A 76 -10.123 2.165 -8.779 1.00 0.00 C ATOM 1195 O ASP A 76 -11.173 2.794 -8.911 1.00 0.00 O ATOM 1196 CB ASP A 76 -9.974 0.902 -10.934 1.00 0.00 C ATOM 1197 CG ASP A 76 -10.056 -0.510 -10.389 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -10.978 -0.787 -9.595 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -9.197 -1.339 -10.757 1.00 0.00 O ATOM 0 H ASP A 76 -8.063 0.473 -8.934 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.030 2.784 -10.509 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.981 1.278 -11.114 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.462 0.888 -11.896 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.688 1.721 -7.604 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.437 1.953 -6.376 1.00 0.00 C ATOM 1206 C ILE A 77 -9.637 2.808 -5.398 1.00 0.00 C ATOM 1207 O ILE A 77 -10.194 3.393 -4.470 1.00 0.00 O ATOM 1208 CB ILE A 77 -10.818 0.628 -5.689 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -10.955 0.832 -4.179 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -9.782 -0.443 -5.993 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.360 -0.421 -3.435 1.00 0.00 C ATOM 0 H ILE A 77 -8.821 1.199 -7.477 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.348 2.481 -6.657 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.780 0.296 -6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.006 1.190 -3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.694 1.611 -3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.065 -1.373 -5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.730 -0.604 -7.070 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.807 -0.121 -5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.438 -0.203 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.324 -0.769 -3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.610 -1.196 -3.592 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.327 2.875 -5.614 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.451 3.661 -4.754 1.00 0.00 C ATOM 1225 C ALA A 78 -6.449 4.462 -5.578 1.00 0.00 C ATOM 1226 O ALA A 78 -6.088 4.072 -6.689 1.00 0.00 O ATOM 1227 CB ALA A 78 -6.725 2.754 -3.771 1.00 0.00 C ATOM 0 H ALA A 78 -7.850 2.395 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.067 4.365 -4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.074 3.354 -3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.454 2.230 -3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.126 2.028 -4.320 1.00 0.00 H new ATOM 1233 N THR A 79 -6.001 5.586 -5.027 1.00 0.00 N ATOM 1234 CA THR A 79 -5.042 6.444 -5.711 1.00 0.00 C ATOM 1235 C THR A 79 -4.024 7.020 -4.734 1.00 0.00 C ATOM 1236 O THR A 79 -4.232 6.997 -3.520 1.00 0.00 O ATOM 1237 CB THR A 79 -5.746 7.602 -6.443 1.00 0.00 C ATOM 1238 OG1 THR A 79 -4.914 8.092 -7.500 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.070 8.734 -5.480 1.00 0.00 C ATOM 0 H THR A 79 -6.288 5.923 -4.108 1.00 0.00 H new ATOM 0 HA THR A 79 -4.527 5.821 -6.442 1.00 0.00 H new ATOM 0 HB THR A 79 -6.679 7.224 -6.861 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.370 8.827 -7.961 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.567 9.540 -6.020 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.728 8.365 -4.693 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.148 9.109 -5.036 1.00 0.00 H new ATOM 1247 N PHE A 80 -2.923 7.536 -5.269 1.00 0.00 N ATOM 1248 CA PHE A 80 -1.872 8.119 -4.443 1.00 0.00 C ATOM 1249 C PHE A 80 -2.346 9.416 -3.794 1.00 0.00 C ATOM 1250 O PHE A 80 -2.093 10.507 -4.305 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.621 8.383 -5.284 1.00 0.00 C ATOM 1252 CG PHE A 80 0.359 7.245 -5.275 1.00 0.00 C ATOM 1253 CD1 PHE A 80 1.026 6.896 -4.112 1.00 0.00 C ATOM 1254 CD2 PHE A 80 0.613 6.523 -6.431 1.00 0.00 C ATOM 1255 CE1 PHE A 80 1.928 5.849 -4.101 1.00 0.00 C ATOM 1256 CE2 PHE A 80 1.513 5.475 -6.425 1.00 0.00 C ATOM 1257 CZ PHE A 80 2.173 5.138 -5.259 1.00 0.00 C ATOM 0 H PHE A 80 -2.735 7.562 -6.271 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.628 7.408 -3.654 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.920 8.586 -6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.126 9.281 -4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.839 7.449 -3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.102 6.783 -7.346 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.441 5.587 -3.187 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.701 4.919 -7.332 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.879 4.321 -5.253 1.00 0.00 H new ATOM 1267 N SER A 81 -3.035 9.288 -2.664 1.00 0.00 N ATOM 1268 CA SER A 81 -3.548 10.449 -1.947 1.00 0.00 C ATOM 1269 C SER A 81 -2.411 11.375 -1.528 1.00 0.00 C ATOM 1270 O SER A 81 -2.368 12.541 -1.922 1.00 0.00 O ATOM 1271 CB SER A 81 -4.339 10.004 -0.715 1.00 0.00 C ATOM 1272 OG SER A 81 -4.773 11.120 0.043 1.00 0.00 O ATOM 0 H SER A 81 -3.250 8.392 -2.226 1.00 0.00 H new ATOM 0 HA SER A 81 -4.210 10.997 -2.618 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.201 9.414 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.718 9.358 -0.094 1.00 0.00 H new ATOM 0 HG SER A 81 -5.277 10.809 0.824 1.00 0.00 H new ATOM 1278 N SER A 82 -1.492 10.848 -0.726 1.00 0.00 N ATOM 1279 CA SER A 82 -0.355 11.628 -0.249 1.00 0.00 C ATOM 1280 C SER A 82 0.960 11.016 -0.722 1.00 0.00 C ATOM 1281 O SER A 82 1.468 10.069 -0.122 1.00 0.00 O ATOM 1282 CB SER A 82 -0.372 11.711 1.278 1.00 0.00 C ATOM 1283 OG SER A 82 -1.586 12.273 1.745 1.00 0.00 O ATOM 0 H SER A 82 -1.512 9.884 -0.393 1.00 0.00 H new ATOM 0 HA SER A 82 -0.437 12.634 -0.661 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.243 10.715 1.701 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.468 12.315 1.622 1.00 0.00 H new ATOM 0 HG SER A 82 -1.572 12.313 2.724 1.00 0.00 H new ATOM 1289 N ARG A 83 1.506 11.565 -1.802 1.00 0.00 N ATOM 1290 CA ARG A 83 2.761 11.073 -2.357 1.00 0.00 C ATOM 1291 C ARG A 83 3.689 10.581 -1.251 1.00 0.00 C ATOM 1292 O ARG A 83 3.813 11.195 -0.191 1.00 0.00 O ATOM 1293 CB ARG A 83 3.452 12.174 -3.165 1.00 0.00 C ATOM 1294 CG ARG A 83 3.021 12.222 -4.621 1.00 0.00 C ATOM 1295 CD ARG A 83 3.912 11.353 -5.495 1.00 0.00 C ATOM 1296 NE ARG A 83 5.325 11.506 -5.159 1.00 0.00 N ATOM 1297 CZ ARG A 83 6.034 12.592 -5.442 1.00 0.00 C ATOM 1298 NH1 ARG A 83 5.465 13.617 -6.063 1.00 0.00 N ATOM 1299 NH2 ARG A 83 7.315 12.657 -5.104 1.00 0.00 N ATOM 0 H ARG A 83 1.099 12.350 -2.310 1.00 0.00 H new ATOM 0 HA ARG A 83 2.534 10.235 -3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.244 13.138 -2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.531 12.024 -3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.987 11.887 -4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.053 13.252 -4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.623 10.308 -5.381 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.758 11.614 -6.542 1.00 0.00 H new ATOM 0 HE ARG A 83 5.793 10.736 -4.681 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.480 13.572 -6.324 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.012 14.450 -6.279 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.757 11.872 -4.626 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.858 13.492 -5.322 1.00 0.00 H new ATOM 1313 N PRO A 84 4.358 9.445 -1.501 1.00 0.00 N ATOM 1314 CA PRO A 84 5.286 8.845 -0.538 1.00 0.00 C ATOM 1315 C PRO A 84 6.557 9.670 -0.366 1.00 0.00 C ATOM 1316 O PRO A 84 7.345 9.819 -1.300 1.00 0.00 O ATOM 1317 CB PRO A 84 5.612 7.485 -1.160 1.00 0.00 C ATOM 1318 CG PRO A 84 5.387 7.673 -2.621 1.00 0.00 C ATOM 1319 CD PRO A 84 4.259 8.660 -2.743 1.00 0.00 C ATOM 0 HA PRO A 84 4.852 8.780 0.460 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.641 7.191 -0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.970 6.702 -0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.287 8.047 -3.109 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.132 6.728 -3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.369 9.289 -3.626 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.294 8.160 -2.827 1.00 0.00 H new ATOM 1327 N LYS A 85 6.751 10.205 0.835 1.00 0.00 N ATOM 1328 CA LYS A 85 7.927 11.015 1.131 1.00 0.00 C ATOM 1329 C LYS A 85 8.769 10.370 2.227 1.00 0.00 C ATOM 1330 O LYS A 85 8.276 9.549 3.000 1.00 0.00 O ATOM 1331 CB LYS A 85 7.508 12.424 1.557 1.00 0.00 C ATOM 1332 CG LYS A 85 6.963 12.494 2.974 1.00 0.00 C ATOM 1333 CD LYS A 85 6.052 13.695 3.162 1.00 0.00 C ATOM 1334 CE LYS A 85 4.999 13.434 4.229 1.00 0.00 C ATOM 1335 NZ LYS A 85 4.151 14.633 4.476 1.00 0.00 N ATOM 0 H LYS A 85 6.109 10.092 1.619 1.00 0.00 H new ATOM 0 HA LYS A 85 8.530 11.081 0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.367 13.090 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.750 12.793 0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.413 11.580 3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.791 12.550 3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.647 14.564 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.563 13.934 2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.368 12.600 3.921 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.488 13.137 5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.446 14.415 5.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.749 15.422 4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.664 14.901 3.597 1.00 0.00 H new ATOM 1349 N ALA A 86 10.042 10.748 2.289 1.00 0.00 N ATOM 1350 CA ALA A 86 10.951 10.209 3.293 1.00 0.00 C ATOM 1351 C ALA A 86 10.607 10.733 4.683 1.00 0.00 C ATOM 1352 O ALA A 86 10.289 11.911 4.851 1.00 0.00 O ATOM 1353 CB ALA A 86 12.391 10.552 2.939 1.00 0.00 C ATOM 0 H ALA A 86 10.467 11.425 1.656 1.00 0.00 H new ATOM 0 HA ALA A 86 10.839 9.125 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.059 10.143 3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.639 10.124 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.508 11.635 2.898 1.00 0.00 H new ATOM 1359 N ILE A 87 10.672 9.852 5.675 1.00 0.00 N ATOM 1360 CA ILE A 87 10.368 10.227 7.050 1.00 0.00 C ATOM 1361 C ILE A 87 11.404 9.662 8.016 1.00 0.00 C ATOM 1362 O ILE A 87 12.091 8.689 7.706 1.00 0.00 O ATOM 1363 CB ILE A 87 8.969 9.738 7.471 1.00 0.00 C ATOM 1364 CG1 ILE A 87 8.905 8.210 7.425 1.00 0.00 C ATOM 1365 CG2 ILE A 87 7.903 10.345 6.572 1.00 0.00 C ATOM 1366 CD1 ILE A 87 7.844 7.622 8.330 1.00 0.00 C ATOM 0 H ILE A 87 10.932 8.873 5.552 1.00 0.00 H new ATOM 0 HA ILE A 87 10.391 11.316 7.092 1.00 0.00 H new ATOM 0 HB ILE A 87 8.780 10.061 8.495 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.713 7.893 6.400 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.877 7.805 7.707 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.920 9.990 6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.937 11.432 6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.086 10.049 5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.856 6.535 8.246 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.046 7.909 9.362 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.865 7.998 8.034 1.00 0.00 H new ATOM 1378 N ARG A 88 11.508 10.277 9.190 1.00 0.00 N ATOM 1379 CA ARG A 88 12.460 9.836 10.202 1.00 0.00 C ATOM 1380 C ARG A 88 13.893 9.966 9.695 1.00 0.00 C ATOM 1381 O ARG A 88 14.750 9.140 10.005 1.00 0.00 O ATOM 1382 CB ARG A 88 12.178 8.385 10.599 1.00 0.00 C ATOM 1383 CG ARG A 88 10.798 8.176 11.202 1.00 0.00 C ATOM 1384 CD ARG A 88 10.778 6.983 12.144 1.00 0.00 C ATOM 1385 NE ARG A 88 11.122 7.360 13.513 1.00 0.00 N ATOM 1386 CZ ARG A 88 11.000 6.543 14.553 1.00 0.00 C ATOM 1387 NH1 ARG A 88 10.545 5.309 14.382 1.00 0.00 N ATOM 1388 NH2 ARG A 88 11.333 6.959 15.768 1.00 0.00 N ATOM 0 H ARG A 88 10.945 11.082 9.463 1.00 0.00 H new ATOM 0 HA ARG A 88 12.344 10.475 11.077 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.281 7.750 9.719 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.932 8.060 11.316 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.496 9.073 11.742 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.070 8.024 10.405 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.788 6.528 12.131 1.00 0.00 H new ATOM 0 HD3 ARG A 88 11.480 6.229 11.789 1.00 0.00 H new ATOM 0 HE ARG A 88 11.475 8.302 13.679 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.288 4.985 13.450 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.453 4.684 15.183 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.683 7.907 15.904 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.239 6.331 16.566 1.00 0.00 H new ATOM 1402 N GLY A 89 14.145 11.010 8.912 1.00 0.00 N ATOM 1403 CA GLY A 89 15.475 11.230 8.374 1.00 0.00 C ATOM 1404 C GLY A 89 15.790 10.308 7.212 1.00 0.00 C ATOM 1405 O GLY A 89 16.954 10.019 6.938 1.00 0.00 O ATOM 0 H GLY A 89 13.452 11.708 8.640 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.564 12.266 8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.212 11.080 9.163 1.00 0.00 H new ATOM 1409 N GLY A 90 14.749 9.842 6.529 1.00 0.00 N ATOM 1410 CA GLY A 90 14.941 8.951 5.400 1.00 0.00 C ATOM 1411 C GLY A 90 15.097 7.504 5.824 1.00 0.00 C ATOM 1412 O GLY A 90 15.358 6.631 4.996 1.00 0.00 O ATOM 0 H GLY A 90 13.776 10.066 6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.091 9.039 4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.825 9.261 4.843 1.00 0.00 H new ATOM 1416 N THR A 91 14.938 7.248 7.119 1.00 0.00 N ATOM 1417 CA THR A 91 15.065 5.897 7.652 1.00 0.00 C ATOM 1418 C THR A 91 13.826 5.065 7.343 1.00 0.00 C ATOM 1419 O THR A 91 13.847 3.840 7.452 1.00 0.00 O ATOM 1420 CB THR A 91 15.292 5.914 9.175 1.00 0.00 C ATOM 1421 OG1 THR A 91 14.255 6.665 9.817 1.00 0.00 O ATOM 1422 CG2 THR A 91 16.646 6.518 9.515 1.00 0.00 C ATOM 0 H THR A 91 14.721 7.959 7.818 1.00 0.00 H new ATOM 0 HA THR A 91 15.931 5.446 7.168 1.00 0.00 H new ATOM 0 HB THR A 91 15.271 4.885 9.534 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.616 7.521 10.129 1.00 0.00 H new ATOM 0 HG21 THR A 91 16.783 6.519 10.596 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.435 5.927 9.050 1.00 0.00 H new ATOM 0 HG23 THR A 91 16.692 7.541 9.143 1.00 0.00 H new ATOM 1430 N ALA A 92 12.748 5.739 6.957 1.00 0.00 N ATOM 1431 CA ALA A 92 11.500 5.060 6.629 1.00 0.00 C ATOM 1432 C ALA A 92 10.622 5.928 5.733 1.00 0.00 C ATOM 1433 O ALA A 92 10.730 7.154 5.742 1.00 0.00 O ATOM 1434 CB ALA A 92 10.753 4.686 7.901 1.00 0.00 C ATOM 0 H ALA A 92 12.713 6.754 6.864 1.00 0.00 H new ATOM 0 HA ALA A 92 11.743 4.149 6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.823 4.180 7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.372 4.022 8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.528 5.588 8.470 1.00 0.00 H new ATOM 1440 N SER A 93 9.753 5.284 4.961 1.00 0.00 N ATOM 1441 CA SER A 93 8.860 5.997 4.056 1.00 0.00 C ATOM 1442 C SER A 93 7.433 6.008 4.597 1.00 0.00 C ATOM 1443 O SER A 93 7.055 5.152 5.397 1.00 0.00 O ATOM 1444 CB SER A 93 8.885 5.353 2.668 1.00 0.00 C ATOM 1445 OG SER A 93 8.655 3.957 2.749 1.00 0.00 O ATOM 0 H SER A 93 9.648 4.270 4.944 1.00 0.00 H new ATOM 0 HA SER A 93 9.209 7.027 3.978 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.126 5.814 2.036 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.849 5.539 2.195 1.00 0.00 H new ATOM 0 HG SER A 93 7.826 3.734 2.277 1.00 0.00 H new ATOM 1451 N MET A 94 6.647 6.983 4.155 1.00 0.00 N ATOM 1452 CA MET A 94 5.262 7.106 4.594 1.00 0.00 C ATOM 1453 C MET A 94 4.391 7.696 3.489 1.00 0.00 C ATOM 1454 O MET A 94 4.821 8.590 2.759 1.00 0.00 O ATOM 1455 CB MET A 94 5.177 7.979 5.848 1.00 0.00 C ATOM 1456 CG MET A 94 3.895 7.781 6.641 1.00 0.00 C ATOM 1457 SD MET A 94 3.405 9.259 7.549 1.00 0.00 S ATOM 1458 CE MET A 94 2.603 10.202 6.255 1.00 0.00 C ATOM 0 H MET A 94 6.945 7.700 3.493 1.00 0.00 H new ATOM 0 HA MET A 94 4.892 6.108 4.829 1.00 0.00 H new ATOM 0 HB2 MET A 94 6.030 7.761 6.491 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.257 9.027 5.558 1.00 0.00 H new ATOM 0 HG2 MET A 94 3.093 7.494 5.961 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.029 6.957 7.342 1.00 0.00 H new ATOM 0 HE1 MET A 94 2.244 11.147 6.663 1.00 0.00 H new ATOM 0 HE2 MET A 94 3.315 10.399 5.454 1.00 0.00 H new ATOM 0 HE3 MET A 94 1.761 9.634 5.860 1.00 0.00 H new ATOM 1468 N CYS A 95 3.168 7.192 3.372 1.00 0.00 N ATOM 1469 CA CYS A 95 2.238 7.669 2.355 1.00 0.00 C ATOM 1470 C CYS A 95 0.800 7.330 2.732 1.00 0.00 C ATOM 1471 O CYS A 95 0.555 6.545 3.649 1.00 0.00 O ATOM 1472 CB CYS A 95 2.580 7.058 0.995 1.00 0.00 C ATOM 1473 SG CYS A 95 1.810 5.450 0.694 1.00 0.00 S ATOM 0 H CYS A 95 2.797 6.453 3.969 1.00 0.00 H new ATOM 0 HA CYS A 95 2.331 8.753 2.292 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.272 7.749 0.210 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.662 6.951 0.919 1.00 0.00 H new ATOM 0 HG CYS A 95 2.734 4.555 0.507 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.150 7.927 2.018 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.565 7.689 2.278 1.00 0.00 C ATOM 1481 C VAL A 96 -2.293 7.265 1.007 1.00 0.00 C ATOM 1482 O VAL A 96 -1.786 7.445 -0.101 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.249 8.943 2.854 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.662 8.617 3.312 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.428 9.518 3.999 1.00 0.00 C ATOM 0 H VAL A 96 0.035 8.579 1.255 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.621 6.885 3.012 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.312 9.696 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.130 9.515 3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.244 8.254 2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.626 7.848 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.925 10.404 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.332 8.772 4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.437 9.790 3.635 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.485 6.702 1.174 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.283 6.252 0.040 1.00 0.00 C ATOM 1497 C PHE A 97 -5.730 6.717 0.175 1.00 0.00 C ATOM 1498 O PHE A 97 -6.273 6.781 1.279 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.235 4.727 -0.072 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.908 4.203 -0.541 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.860 4.035 0.350 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.708 3.876 -1.873 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.638 3.553 -0.080 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -1.488 3.394 -2.308 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.452 3.231 -1.410 1.00 0.00 C ATOM 0 H PHE A 97 -3.919 6.547 2.084 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.861 6.689 -0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.466 4.292 0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.012 4.396 -0.762 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.000 4.283 1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.515 3.999 -2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.171 3.428 0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.345 3.145 -3.349 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.502 2.853 -1.747 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.349 7.042 -0.955 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.732 7.503 -0.964 1.00 0.00 C ATOM 1517 C ARG A 98 -8.489 6.930 -2.159 1.00 0.00 C ATOM 1518 O ARG A 98 -7.884 6.482 -3.133 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.782 9.031 -0.999 1.00 0.00 C ATOM 1520 CG ARG A 98 -7.374 9.623 -2.338 1.00 0.00 C ATOM 1521 CD ARG A 98 -7.080 11.111 -2.224 1.00 0.00 C ATOM 1522 NE ARG A 98 -7.159 11.785 -3.517 1.00 0.00 N ATOM 1523 CZ ARG A 98 -7.270 13.102 -3.653 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -7.314 13.881 -2.582 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -7.336 13.641 -4.864 1.00 0.00 N ATOM 0 H ARG A 98 -5.914 6.995 -1.877 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.212 7.152 -0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.794 9.359 -0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.127 9.425 -0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.491 9.104 -2.712 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.170 9.463 -3.065 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.788 11.568 -1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.085 11.253 -1.802 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.127 11.214 -4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.263 13.470 -1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.399 14.892 -2.690 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.302 13.044 -5.690 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.421 14.652 -4.968 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.816 6.949 -2.077 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.655 6.432 -3.152 1.00 0.00 C ATOM 1541 C HIS A 99 -10.744 7.432 -4.301 1.00 0.00 C ATOM 1542 O HIS A 99 -10.716 8.644 -4.086 1.00 0.00 O ATOM 1543 CB HIS A 99 -12.056 6.116 -2.626 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.909 5.371 -3.606 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -13.409 5.943 -4.756 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.349 4.091 -3.603 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -14.121 5.048 -5.417 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -14.100 3.915 -4.739 1.00 0.00 N ATOM 0 H HIS A 99 -10.333 7.317 -1.278 1.00 0.00 H new ATOM 0 HA HIS A 99 -10.200 5.515 -3.526 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.968 5.528 -1.712 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.554 7.048 -2.358 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -13.147 3.346 -2.847 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -14.633 5.215 -6.353 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.566 3.050 -5.014 1.00 0.00 H new